5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid

C9H10N2O2 — CID 175399204

IUPAC5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid
SMILESNC=CCc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O2/c10-5-1-2-7-3-4-8(9(12)13)11-6-7/h1,3-6H,2,10H2,(H,12,13)
InChIKeyRBYNGBOEHYMJLE-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.79
Rot. Bonds3

About 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid

5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid (PubChem CID 175399204) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid
PubChem CID175399204
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid
SMILESNC=CCc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O2/c10-5-1-2-7-3-4-8(9(12)13)11-6-7/h1,3-6H,2,10H2,(H,12,13)
InChIKeyRBYNGBOEHYMJLE-UHFFFAOYSA-N
XLogP0.79
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-enyl]pyridine-2-carboxylic acid
CID 67678220
5-(3-aminoprop-1-enyl)pyridine-2-carboxylic acid
CID 169463626
pyridine-2,5-dicarboxylic acid
CID 158970171
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-[[[(2R)-2-aminopropanoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81100486
5-[(3S)-3,4-dihydroxybutyl]pyridine-2-carboxylic acid
CID 134611747
5-(1,2-diaminoethyl)pyridine-2-carboxylic acid
CID 55292974
5-(3-chloroprop-1-enyl)pyridine-2-carboxylic acid
CID 169477398
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153
5-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carboxylic acid
CID 117213210
5-(4-ethyl-N-methylanilino)pyridine-2-carboxylic acid
CID 113321588

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid (CID 175399204) is 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid is NC=CCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid?
The InChIKey is RBYNGBOEHYMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-5-1-2-7-3-4-8(9(12)13)11-6-7/h1,3-6H,2,10H2,(H,12,13).
What are the key properties of 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid?
5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-2-enyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 175399204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).