4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)-

CAS
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CAS
98088-04-1
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM98088041

Product Name

4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)-

Structure

Structure

CAS

98088-04-1

Category

Heterocyclic Organic Compound

Synonyms

2-pyrrolidin-1-ylisonicotinic acid, MolPort-000-006-260, HMS1699G12, ALBB-005482, ZERO/009390, 2-Pyrrolidin-1-yl-isonicotinic acid, STK503435, ZINC02527392, BAS 10154001, CID6484236, 2-(pyrrolidin-1-yl)pyridine-4-carboxylic acid, P67433, 98088-04-1

IUPAC Name

2-pyrrolidin-1-ylpyridine-4-carboxylic acid

Molecular Weight

228.68

Molecular Formula

C₁₀H₁₂N₂O₂

Canonical SMILES

C1CCN(C1)C2=NC=CC(=C2)C(=O)O

InChI Key

PQLHQGBNMJTAEH-UHFFFAOYSA-N

Boiling Point

473ºC at 760mmHg

Melting Point

211ºC

Flash Point

239.9ºC

Density

1.283g/cm³

Exact Mass

192.09000

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The molecular formula is C10H12N2O2.

What is the molecular weight of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The molecular weight is 192.21 g/mol.

What is the IUPAC name of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The IUPAC name is 2-pyrrolidin-1-ylpyridine-4-carboxylic acid.

What is the InChI of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The InChI is InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14).

What is the InChIKey of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The InChIKey is PQLHQGBNMJTAEH-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The canonical SMILES is C1CCN(C1)C2=NC=CC(=C2)C(=O)O.

What is the CAS number of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The CAS number is 98088-04-1.

What is the XLogP3-AA value of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The XLogP3-AA value is 1.3.

What is the hydrogen bond donor count of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The hydrogen bond donor count is 1.

What is the hydrogen bond acceptor count of 4-Pyridinecarboxylicacid,2-(1-pyrrolidinyl)?

The hydrogen bond acceptor count is 4.

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