2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid

C14H19ClN2O2 — CID 79878433

IUPAC2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
SMILESCC1(C)CCCCC1Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-14(2)6-4-3-5-10(14)16-12-8-9(13(18)19)7-11(15)17-12/h7-8,10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZCCSJASUJUXNEL-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.81
Rot. Bonds3

About 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid (PubChem CID 79878433) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
PubChem CID79878433
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
SMILESCC1(C)CCCCC1Nc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-14(2)6-4-3-5-10(14)16-12-8-9(13(18)19)7-11(15)17-12/h7-8,10H,3-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZCCSJASUJUXNEL-UHFFFAOYSA-N
XLogP3.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
CID 83076603
3-chloro-4-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79872961
2-chloro-6-[(2-methylsulfanylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 114123522
3-[(2,2-dimethylcyclohexyl)amino]-4-fluorobenzoic acid
CID 79834911
2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
CID 79872955
4-[(2,2-dimethylcyclohexyl)amino]-3-fluorobenzoic acid
CID 79873059
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79859610
2-chloro-6-[(1,1-dioxothian-3-yl)amino]pyridine-4-carboxylic acid
CID 63922375
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid (CID 79878433) is 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid is CC1(C)CCCCC1Nc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid?
The InChIKey is ZCCSJASUJUXNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2)6-4-3-5-10(14)16-12-8-9(13(18)19)7-11(15)17-12/h7-8,10H,3-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79878433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).