6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile

C13H9Cl2N3 — CID 104727199

IUPAC6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Cl)c(Nc2cccc(C#N)n2)cc1Cl
InChIInChI=1S/C13H9Cl2N3/c1-8-5-11(15)12(6-10(8)14)18-13-4-2-3-9(7-16)17-13/h2-6H,1H3,(H,17,18)
InChIKeyIFXFPXRWZLPHBD-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.31
Rot. Bonds2

About 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile

6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile (PubChem CID 104727199) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
PubChem CID104727199
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
SMILESCc1cc(Cl)c(Nc2cccc(C#N)n2)cc1Cl
InChIInChI=1S/C13H9Cl2N3/c1-8-5-11(15)12(6-10(8)14)18-13-4-2-3-9(7-16)17-13/h2-6H,1H3,(H,17,18)
InChIKeyIFXFPXRWZLPHBD-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
CID 64596070
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
2-(2,5-dichloro-4-methylanilino)-3-methylbenzonitrile
CID 107107220
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-chloro-N-(4,5-dichloro-2-methylphenyl)pyridin-2-amine;ethane
CID 144720384
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
4-N-(2,5-dichloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 104728696
6-N-(2-bromo-5-chloro-4-methylphenyl)-2-N-methylpyridine-2,6-diamine
CID 104725517
6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
CID 82016345

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile (CID 104727199) is 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile is Cc1cc(Cl)c(Nc2cccc(C#N)n2)cc1Cl.
What is the InChIKey of 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile?
The InChIKey is IFXFPXRWZLPHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-8-5-11(15)12(6-10(8)14)18-13-4-2-3-9(7-16)17-13/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile?
6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile has a molecular weight of 278.14 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 104727199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).