3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile

C19H13Cl2N3O — CID 66926929

IUPAC3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile
SMILESCOc1cccc(-c2cnc(Nc3ccccc3Cl)c(Cl)c2C#N)c1
InChIInChI=1S/C19H13Cl2N3O/c1-25-13-6-4-5-12(9-13)15-11-23-19(18(21)14(15)10-22)24-17-8-3-2-7-16(17)20/h2-9,11H,1H3,(H,23,24)
InChIKeyVPMOJSCEBDLYGF-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.68
Rot. Bonds4

About 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile

3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile (PubChem CID 66926929) has the molecular formula C19H13Cl2N3O and a molecular weight of 370.24 g/mol. Its IUPAC name is 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile
PubChem CID66926929
Molecular FormulaC19H13Cl2N3O
Molecular Weight370.24 g/mol
Exact Mass369.04
IUPAC Name3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile
SMILESCOc1cccc(-c2cnc(Nc3ccccc3Cl)c(Cl)c2C#N)c1
InChIInChI=1S/C19H13Cl2N3O/c1-25-13-6-4-5-12(9-13)15-11-23-19(18(21)14(15)10-22)24-17-8-3-2-7-16(17)20/h2-9,11H,1H3,(H,23,24)
InChIKeyVPMOJSCEBDLYGF-UHFFFAOYSA-N
XLogP5.68
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile (CID 66926929) is 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile is COc1cccc(-c2cnc(Nc3ccccc3Cl)c(Cl)c2C#N)c1.
What is the InChIKey of 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile?
The InChIKey is VPMOJSCEBDLYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O/c1-25-13-6-4-5-12(9-13)15-11-23-19(18(21)14(15)10-22)24-17-8-3-2-7-16(17)20/h2-9,11H,1H3,(H,23,24).
What are the key properties of 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile?
3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile has a molecular weight of 370.24 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-chloroanilino)-5-(3-methoxyphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 66926929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).