2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile

C13H15ClN2O — CID 83073499

IUPAC2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile
SMILESCC1CCC(Oc2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C13H15ClN2O/c1-9-2-4-11(5-3-9)17-13-7-10(8-15)6-12(14)16-13/h6-7,9,11H,2-5H2,1H3
InChIKeyARZMJTYBDFUMKX-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.56
Rot. Bonds2

About 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile

2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile (PubChem CID 83073499) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile
PubChem CID83073499
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile
SMILESCC1CCC(Oc2cc(C#N)cc(Cl)n2)CC1
InChIInChI=1S/C13H15ClN2O/c1-9-2-4-11(5-3-9)17-13-7-10(8-15)6-12(14)16-13/h6-7,9,11H,2-5H2,1H3
InChIKeyARZMJTYBDFUMKX-UHFFFAOYSA-N
XLogP3.56
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile (CID 83073499) is 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile is CC1CCC(Oc2cc(C#N)cc(Cl)n2)CC1.
What is the InChIKey of 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile?
The InChIKey is ARZMJTYBDFUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-2-4-11(5-3-9)17-13-7-10(8-15)6-12(14)16-13/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile?
2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile has a molecular weight of 250.73 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 83073499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).