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

C14H19ClN2O2 — CID 61468009

IUPAC3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCCC1Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H19ClN2O2/c1-2-9-5-3-4-6-11(9)16-12-8-7-10(15)13(17-12)14(18)19/h7-9,11H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeySYEDRSJSMYZHLQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.81
Rot. Bonds4

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

3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid (PubChem CID 61468009) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
PubChem CID61468009
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
SMILESCCC1CCCCC1Nc1ccc(Cl)c(C(=O)O)n1
InChIInChI=1S/C14H19ClN2O2/c1-2-9-5-3-4-6-11(9)16-12-8-7-10(15)13(17-12)14(18)19/h7-9,11H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeySYEDRSJSMYZHLQ-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

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Related Compounds

3-chloro-6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409579
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
3-chloro-6-(2-ethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 43266685
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 115490737
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
CID 63402589
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
N-(2-ethylcyclopentyl)-6-fluoropyridin-2-amine
CID 115692088
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid (CID 61468009) is 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid is CCC1CCCCC1Nc1ccc(Cl)c(C(=O)O)n1.
What is the InChIKey of 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
The InChIKey is SYEDRSJSMYZHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-9-5-3-4-6-11(9)16-12-8-7-10(15)13(17-12)14(18)19/h7-9,11H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid?
3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-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 3-chloro-6-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 61468009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).