4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile

C15H13ClN2O — CID 79245492

IUPAC4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1OCc1cc(Cl)ccn1
InChIInChI=1S/C15H13ClN2O/c1-10-5-12(8-17)6-11(2)15(10)19-9-14-7-13(16)3-4-18-14/h3-7H,9H2,1-2H3
InChIKeyWPQNWACPEZJJAI-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.80
Rot. Bonds3

About 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile

4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile (PubChem CID 79245492) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
PubChem CID79245492
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1OCc1cc(Cl)ccn1
InChIInChI=1S/C15H13ClN2O/c1-10-5-12(8-17)6-11(2)15(10)19-9-14-7-13(16)3-4-18-14/h3-7H,9H2,1-2H3
InChIKeyWPQNWACPEZJJAI-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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Related Compounds

4-[(2-chloro-3-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 65472278
4-[(2-amino-5-chlorophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 79582988
4-[(2-amino-4-chlorophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65453921
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]benzonitrile
CID 82866204
3,5-dimethyl-4-[(4-methylphenyl)methoxy]benzonitrile
CID 65472094
4-[(3-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzonitrile
CID 112749374
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65477803
4-[(2,5-dimethylphenyl)methoxy]-3,5-dimethylbenzonitrile
CID 65470169
4-[(4-chloro-2-pyridinyl)methoxy]aniline
CID 79244468
4-chloro-2-methylpyridine;2-methylpyridine-4-carbonitrile
CID 160905410
potassium (4-cyano-2,6-dimethylphenoxy)methyl-trifluoroboranuide
CID 65470810
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3,5-dimethylbenzonitrile
CID 65454488

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile (CID 79245492) is 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1OCc1cc(Cl)ccn1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile?
The InChIKey is WPQNWACPEZJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10-5-12(8-17)6-11(2)15(10)19-9-14-7-13(16)3-4-18-14/h3-7H,9H2,1-2H3.
What are the key properties of 4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile?
4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile 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-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 79245492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).