2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid

C14H19ClN2O2 — CID 63538856

IUPAC2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)cc(Cl)n1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-9(10-5-3-2-4-6-10)16-13-8-11(14(18)19)7-12(15)17-13/h7-10H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyDXUPZLKAWBQAPO-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.81
Rot. Bonds4

About 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid

2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid (PubChem CID 63538856) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
PubChem CID63538856
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
SMILESCC(Nc1cc(C(=O)O)cc(Cl)n1)C1CCCCC1
InChIInChI=1S/C14H19ClN2O2/c1-9(10-5-3-2-4-6-10)16-13-8-11(14(18)19)7-12(15)17-13/h7-10H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyDXUPZLKAWBQAPO-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.81
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

2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-tert-butyl-6-chloro-N-(1-cyclohexylethyl)pyrimidin-4-amine
CID 80950970
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
2-(but-3-yn-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 114417592
2-chloro-6-(4,4,4-trifluorobutan-2-ylamino)pyridine-4-carboxylic acid
CID 114131107
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-chloropyridine-4-carboxylic acid
CID 114176382
2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
CID 62483644
2-chloro-6-[1-(dimethylamino)propan-2-ylamino]pyridine-4-carboxylic acid
CID 82939267
2-amino-6-chloro-N-(1-cyclohexylethyl)pyridine-4-carboxamide
CID 62407259
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114546957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid (CID 63538856) is 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid is CC(Nc1cc(C(=O)O)cc(Cl)n1)C1CCCCC1.
What is the InChIKey of 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid?
The InChIKey is DXUPZLKAWBQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-9(10-5-3-2-4-6-10)16-13-8-11(14(18)19)7-12(15)17-13/h7-10H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid?
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 63538856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).