4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile

C15H13ClN2O — CID 80979840

IUPAC4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(OCc2cccc(Cl)c2)c(C#N)c(C)n1
InChIInChI=1S/C15H13ClN2O/c1-10-6-15(14(8-17)11(2)18-10)19-9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3
InChIKeyMMOBMCXDPSTGFA-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.80
Rot. Bonds3

About 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile

4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 80979840) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID80979840
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(OCc2cccc(Cl)c2)c(C#N)c(C)n1
InChIInChI=1S/C15H13ClN2O/c1-10-6-15(14(8-17)11(2)18-10)19-9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3
InChIKeyMMOBMCXDPSTGFA-UHFFFAOYSA-N
XLogP3.80
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile (CID 80979840) is 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(OCc2cccc(Cl)c2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is MMOBMCXDPSTGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-6-15(14(8-17)11(2)18-10)19-9-12-4-3-5-13(16)7-12/h3-7H,9H2,1-2H3.
What are the key properties of 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile?
4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 80979840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).