2-pyrrolidin-1-ylpyridine-3-carboxylic acid

C10H12N2O2 — CID 2794739

IUPAC2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)
InChIKeyDTUSJCJZQJAPGD-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.38
Rot. Bonds2

About 2-pyrrolidin-1-ylpyridine-3-carboxylic acid

2-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 2794739) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID2794739
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCCC1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)
InChIKeyDTUSJCJZQJAPGD-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopiperidin-1-yl)pyridine-3-carboxylic acid
CID 61403945
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-(4-oxoimidazolidin-1-yl)pyridine-3-carboxylic acid
CID 167721300
2-(3-ethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43430341
2-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 136549310
N-methyl-N-phenyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 36676473
2-[methyl-(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]acetic acid
CID 119346290

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 2-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 2794739) is 2-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-1-ylpyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is DTUSJCJZQJAPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14).
What are the key properties of 2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
2-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 2794739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).