6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile

C13H9Cl2N3 — CID 55045417

IUPAC6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C#N
InChIInChI=1S/C13H9Cl2N3/c1-17-13-9(7-16)3-5-12(18-13)8-2-4-10(14)11(15)6-8/h2-6H,1H3,(H,17,18)
InChIKeyZEDOBRSNIVWJSI-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.97
Rot. Bonds2

About 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile

6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 55045417) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID55045417
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C#N
InChIInChI=1S/C13H9Cl2N3/c1-17-13-9(7-16)3-5-12(18-13)8-2-4-10(14)11(15)6-8/h2-6H,1H3,(H,17,18)
InChIKeyZEDOBRSNIVWJSI-UHFFFAOYSA-N
XLogP3.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 55045417) is 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C#N.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is ZEDOBRSNIVWJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-17-13-9(7-16)3-5-12(18-13)8-2-4-10(14)11(15)6-8/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 278.14 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 55045417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).