2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

C20H15ClN2O2 — CID 10154915

IUPAC2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(Cl)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H15ClN2O2/c1-24-16-7-3-13(4-8-16)18-11-15(12-22)20(21)23-19(18)14-5-9-17(25-2)10-6-14/h3-11H,1-2H3
InChIKeyWDMOLMDOHRYHST-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.96
Rot. Bonds4

About 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 10154915) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID10154915
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(Cl)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H15ClN2O2/c1-24-16-7-3-13(4-8-16)18-11-15(12-22)20(21)23-19(18)14-5-9-17(25-2)10-6-14/h3-11H,1-2H3
InChIKeyWDMOLMDOHRYHST-UHFFFAOYSA-N
XLogP4.96
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 54.96
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-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile (CID 10154915) is 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(C#N)c(Cl)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WDMOLMDOHRYHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c1-24-16-7-3-13(4-8-16)18-11-15(12-22)20(21)23-19(18)14-5-9-17(25-2)10-6-14/h3-11H,1-2H3.
What are the key properties of 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 350.81 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10154915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).