2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid

C9H9ClN2O2 — CID 162349097

IUPAC2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NC2CC2)ccnc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-8-7(9(13)14)6(3-4-11-8)12-5-1-2-5/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyAZRSERNKJYWGAM-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.01
Rot. Bonds3

About 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid

2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid (PubChem CID 162349097) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid
PubChem CID162349097
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(NC2CC2)ccnc1Cl
InChIInChI=1S/C9H9ClN2O2/c10-8-7(9(13)14)6(3-4-11-8)12-5-1-2-5/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKeyAZRSERNKJYWGAM-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(cyclobutylamino)pyridine-3-carboxylic acid
CID 81243809
4-(cycloheptylamino)pyridine-3-carboxylic acid
CID 81232550
methyl 2-chloro-4-(methylamino)pyridine-3-carboxylate
CID 87532805
2-amino-3-fluoro-6-[(4-methylcyclohexyl)amino]benzoic acid
CID 83215411
N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]cyclopentanecarboxamide
CID 22641578
2-chloro-N-(thian-4-yl)pyridin-3-amine
CID 43690107
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
ethyl 2-methyl-4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pyridine-3-carboxylate
CID 19032571
4-chloro-2-[(4-methylcyclohexyl)amino]benzoic acid
CID 63510691
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
CID 63041878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid (CID 162349097) is 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid is O=C(O)c1c(NC2CC2)ccnc1Cl.
What is the InChIKey of 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid?
The InChIKey is AZRSERNKJYWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-8-7(9(13)14)6(3-4-11-8)12-5-1-2-5/h3-5H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid?
2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid has a molecular weight of 212.64 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 162349097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).