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

C12H15ClN2O2 — CID 114919638

IUPAC5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCC1CCCC1Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H15ClN2O2/c1-7-3-2-4-10(7)15-11-5-8(12(16)17)9(13)6-14-11/h5-7,10H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyGUOIVHLESVKMFN-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.03
Rot. Bonds3

About 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid

5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid (PubChem CID 114919638) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
PubChem CID114919638
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
SMILESCC1CCCC1Nc1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C12H15ClN2O2/c1-7-3-2-4-10(7)15-11-5-8(12(16)17)9(13)6-14-11/h5-7,10H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKeyGUOIVHLESVKMFN-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

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Related Compounds

5-chloro-2-[(3-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114920054
5-chloro-2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 114919257
5-methyl-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281216
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693
5-chloro-2-[(2,2-dimethyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114919895
5-fluoro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281306
4-methyl-2-[(2-methylcyclopentyl)amino]pyrimidine-5-carboxylic acid
CID 83181541
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
5-chloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pyridine-4-carboxylic acid
CID 114919582
2-chloro-5-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63281524
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
6-chloro-N-[(1R,2R)-2-methylcyclohexyl]pyrimidin-4-amine
CID 129366089

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid (CID 114919638) is 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid is CC1CCCC1Nc1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
The InChIKey is GUOIVHLESVKMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-3-2-4-10(7)15-11-5-8(12(16)17)9(13)6-14-11/h5-7,10H,2-4H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[(2-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 5-chloro-2-[(2-methylcyclopentyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).