2-pyrrolidin-3-ylpyridine-4-carboxylic acid

C10H12N2O2 — CID 115018963

IUPAC2-pyrrolidin-3-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCNC2)c1
InChIInChI=1S/C10H12N2O2/c13-10(14)7-2-4-12-9(5-7)8-1-3-11-6-8/h2,4-5,8,11H,1,3,6H2,(H,13,14)
InChIKeyHLNNGQVWBVHKLV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.86
Rot. Bonds2

About 2-pyrrolidin-3-ylpyridine-4-carboxylic acid

2-pyrrolidin-3-ylpyridine-4-carboxylic acid (PubChem CID 115018963) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyrrolidin-3-ylpyridine-4-carboxylic acid
PubChem CID115018963
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-pyrrolidin-3-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2CCNC2)c1
InChIInChI=1S/C10H12N2O2/c13-10(14)7-2-4-12-9(5-7)8-1-3-11-6-8/h2,4-5,8,11H,1,3,6H2,(H,13,14)
InChIKeyHLNNGQVWBVHKLV-UHFFFAOYSA-N
XLogP0.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
2-[(3S)-oxolan-3-yl]pyridine-4-carboxylic acid
CID 99934799
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760
4-methyl-3-pyrrolidin-3-ylbenzoic acid
CID 170156424
3-chloro-4-pyrrolidin-3-ylbenzoic acid
CID 84790540
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
CID 83818283
2-[(3S)-piperidin-3-yl]oxypyridine-4-carboxylic acid;hydrochloride
CID 161080685
3-pyrrolidin-3-ylisoquinoline
CID 84774980
2-[(2R)-7-oxoazepan-2-yl]pyridine-4-carboxylic acid
CID 97033317
3-pyrrolidin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251581
2-[(3R)-pyrrolidin-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 99905930
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylpyridine-4-carboxylic acid?
The IUPAC name of 2-pyrrolidin-3-ylpyridine-4-carboxylic acid (CID 115018963) is 2-pyrrolidin-3-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-pyrrolidin-3-ylpyridine-4-carboxylic acid?
The canonical SMILES for 2-pyrrolidin-3-ylpyridine-4-carboxylic acid is O=C(O)c1ccnc(C2CCNC2)c1.
What is the InChIKey of 2-pyrrolidin-3-ylpyridine-4-carboxylic acid?
The InChIKey is HLNNGQVWBVHKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)7-2-4-12-9(5-7)8-1-3-11-6-8/h2,4-5,8,11H,1,3,6H2,(H,13,14).
What are the key properties of 2-pyrrolidin-3-ylpyridine-4-carboxylic acid?
2-pyrrolidin-3-ylpyridine-4-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 115018963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).