5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid

C14H17ClN2O2 — CID 107853620

IUPAC5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NCCC2=CCCCC2)ncc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-9-17-13(8-11(12)14(18)19)16-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,16,17)(H,18,19)
InChIKeyIAEGPNXUOPIYHP-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid

5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 107853620) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID107853620
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(NCCC2=CCCCC2)ncc1Cl
InChIInChI=1S/C14H17ClN2O2/c15-12-9-17-13(8-11(12)14(18)19)16-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,16,17)(H,18,19)
InChIKeyIAEGPNXUOPIYHP-UHFFFAOYSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(cyclohexen-1-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 114009317
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
1-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113010275
N-(2-chlorophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carboxamide
CID 109275595
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine
CID 103606961
5-chloro-2-(5-hydroxypentylamino)pyridine-4-carboxylic acid
CID 107317996
N-[2-(cyclohexen-1-yl)ethyl]-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342498
5-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 114919507
4-[2-(cyclohexen-1-yl)ethylamino]-2,3-difluorobenzoic acid
CID 79838078
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109152709
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid (CID 107853620) is 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid is O=C(O)c1cc(NCCC2=CCCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is IAEGPNXUOPIYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-12-9-17-13(8-11(12)14(18)19)16-7-6-10-4-2-1-3-5-10/h4,8-9H,1-3,5-7H2,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid?
5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 280.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(cyclohexen-1-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107853620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).