5-pyrrolidin-2-ylpyridine-2-carboxylic acid

C10H12N2O2 — CID 55296830

IUPAC5-pyrrolidin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2CCCN2)cn1
InChIInChI=1S/C10H12N2O2/c13-10(14)9-4-3-7(6-12-9)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2,(H,13,14)
InChIKeyCDFPQYMGSNHWPM-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.20
Rot. Bonds2

About 5-pyrrolidin-2-ylpyridine-2-carboxylic acid

5-pyrrolidin-2-ylpyridine-2-carboxylic acid (PubChem CID 55296830) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-pyrrolidin-2-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-pyrrolidin-2-ylpyridine-2-carboxylic acid
PubChem CID55296830
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-pyrrolidin-2-ylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C2CCCN2)cn1
InChIInChI=1S/C10H12N2O2/c13-10(14)9-4-3-7(6-12-9)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2,(H,13,14)
InChIKeyCDFPQYMGSNHWPM-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
CID 174645141
5-[[(3-methylpiperidine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 107068397
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 95732568
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
CID 131871286
2-(4-pyrrolidin-2-ylphenyl)benzoic acid
CID 110162717

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-ylpyridine-2-carboxylic acid?
The IUPAC name of 5-pyrrolidin-2-ylpyridine-2-carboxylic acid (CID 55296830) is 5-pyrrolidin-2-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-pyrrolidin-2-ylpyridine-2-carboxylic acid?
The canonical SMILES for 5-pyrrolidin-2-ylpyridine-2-carboxylic acid is O=C(O)c1ccc(C2CCCN2)cn1.
What is the InChIKey of 5-pyrrolidin-2-ylpyridine-2-carboxylic acid?
The InChIKey is CDFPQYMGSNHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)9-4-3-7(6-12-9)8-2-1-5-11-8/h3-4,6,8,11H,1-2,5H2,(H,13,14).
What are the key properties of 5-pyrrolidin-2-ylpyridine-2-carboxylic acid?
5-pyrrolidin-2-ylpyridine-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 55296830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).