6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane

C17H25ClN2 — CID 123516141

IUPAC6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane
SMILESCC(C)(C)c1ccc(C#N)c(Cl)n1.CC1CCCCC1
InChIInChI=1S/C10H11ClN2.C7H14/c1-10(2,3)8-5-4-7(6-12)9(11)13-8;1-7-5-3-2-4-6-7/h4-5H,1-3H3;7H,2-6H2,1H3
InChIKeyYSYYXASAWIUBCH-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.49
Rot. Bonds

About 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane

6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane (PubChem CID 123516141) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane.

Molecular Properties

Compound Name6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane
PubChem CID123516141
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane
SMILESCC(C)(C)c1ccc(C#N)c(Cl)n1.CC1CCCCC1
InChIInChI=1S/C10H11ClN2.C7H14/c1-10(2,3)8-5-4-7(6-12)9(11)13-8;1-7-5-3-2-4-6-7/h4-5H,1-3H3;7H,2-6H2,1H3
InChIKeyYSYYXASAWIUBCH-UHFFFAOYSA-N
XLogP5.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 167621861
CID 167621861
2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile
CID 175761427
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118
2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966229
2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877541
2-chloro-6-(methylamino)pyridine-3-carbonitrile
CID 119017816
6-tert-butyl-2-chloro-5-iodopyridine-3-carbonitrile
CID 121251135
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-anilino-6-tert-butylpyridine-3-carbonitrile
CID 167790421
2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile
CID 169227018

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane?
The IUPAC name of 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane (CID 123516141) is 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane.
What is the SMILES notation for 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane?
The canonical SMILES for 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane is CC(C)(C)c1ccc(C#N)c(Cl)n1.CC1CCCCC1.
What is the InChIKey of 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane?
The InChIKey is YSYYXASAWIUBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2.C7H14/c1-10(2,3)8-5-4-7(6-12)9(11)13-8;1-7-5-3-2-4-6-7/h4-5H,1-3H3;7H,2-6H2,1H3.
What are the key properties of 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane?
6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane has a molecular weight of 292.85 g/mol, XLogP of 5.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-chloropyridine-3-carbonitrile;methylcyclohexane is sourced from PubChem (CID 123516141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).