2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile

C15H10ClN3O — CID 46949602

IUPAC2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile
SMILESCOc1ccc(-c2c(C)nc(Cl)c(C#N)c2C#N)cc1
InChIInChI=1S/C15H10ClN3O/c1-9-14(10-3-5-11(20-2)6-4-10)12(7-17)13(8-18)15(16)19-9/h3-6H,1-2H3
InChIKeyPWRIOWDXWNTZQP-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile

2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile (PubChem CID 46949602) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile
PubChem CID46949602
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile
SMILESCOc1ccc(-c2c(C)nc(Cl)c(C#N)c2C#N)cc1
InChIInChI=1S/C15H10ClN3O/c1-9-14(10-3-5-11(20-2)6-4-10)12(7-17)13(8-18)15(16)19-9/h3-6H,1-2H3
InChIKeyPWRIOWDXWNTZQP-UHFFFAOYSA-N
XLogP3.46
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile?
The IUPAC name of 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile (CID 46949602) is 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile is COc1ccc(-c2c(C)nc(Cl)c(C#N)c2C#N)cc1.
What is the InChIKey of 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile?
The InChIKey is PWRIOWDXWNTZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-9-14(10-3-5-11(20-2)6-4-10)12(7-17)13(8-18)15(16)19-9/h3-6H,1-2H3.
What are the key properties of 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile?
2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxyphenyl)-6-methylpyridine-3,4-dicarbonitrile is sourced from PubChem (CID 46949602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).