4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile

C19H13ClN2O — CID 678564

IUPAC4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C19H13ClN2O/c1-23-19-17(12-21)16(13-7-9-15(20)10-8-13)11-18(22-19)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyYTMUBDSCBVNHJT-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.95
Rot. Bonds3

About 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile

4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile (PubChem CID 678564) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
PubChem CID678564
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C19H13ClN2O/c1-23-19-17(12-21)16(13-7-9-15(20)10-8-13)11-18(22-19)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyYTMUBDSCBVNHJT-UHFFFAOYSA-N
XLogP4.95
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile (CID 678564) is 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile is COc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile?
The InChIKey is YTMUBDSCBVNHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c1-23-19-17(12-21)16(13-7-9-15(20)10-8-13)11-18(22-19)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile?
4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile has a molecular weight of 320.78 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 678564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).