2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid

C12H15ClN2O2 — CID 114546957

IUPAC2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCC1CCC(Nc2cc(C(=O)O)cc(Cl)n2)C1
InChIInChI=1S/C12H15ClN2O2/c1-7-2-3-9(4-7)14-11-6-8(12(16)17)5-10(13)15-11/h5-7,9H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyXWBOWKCPHCGOIA-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid (PubChem CID 114546957) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
PubChem CID114546957
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCC1CCC(Nc2cc(C(=O)O)cc(Cl)n2)C1
InChIInChI=1S/C12H15ClN2O2/c1-7-2-3-9(4-7)14-11-6-8(12(16)17)5-10(13)15-11/h5-7,9H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyXWBOWKCPHCGOIA-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.03
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-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
CID 114549259
2,6-dichloro-N-(3-methylcyclopentyl)pyridine-4-carboxamide
CID 114545578
2-chloro-6-[(1,1-dioxothian-3-yl)amino]pyridine-4-carboxylic acid
CID 63922375
5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
2-chloro-6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 43568560
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433
2-chloro-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 114123522
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carboxylic acid
CID 43533609
2-chloro-6-(1-cyclohexylethylamino)pyridine-4-carboxylic acid
CID 63538856
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-[(3-methylcyclopentyl)amino]quinoline-5-carboxylic acid
CID 114546973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid (CID 114546957) is 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid is CC1CCC(Nc2cc(C(=O)O)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is XWBOWKCPHCGOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-2-3-9(4-7)14-11-6-8(12(16)17)5-10(13)15-11/h5-7,9H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid has a molecular weight of 254.72 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114546957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).