2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile

C14H9ClN4 — CID 83076502

IUPAC2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
SMILESCN(c1cccc(C#N)c1)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H9ClN4/c1-19(12-4-2-3-10(5-12)8-16)14-7-11(9-17)6-13(15)18-14/h2-7H,1H3
InChIKeyCOSDCSMUMHEGMX-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.25
Rot. Bonds2

About 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile

2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile (PubChem CID 83076502) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
PubChem CID83076502
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
SMILESCN(c1cccc(C#N)c1)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H9ClN4/c1-19(12-4-2-3-10(5-12)8-16)14-7-11(9-17)6-13(15)18-14/h2-7H,1H3
InChIKeyCOSDCSMUMHEGMX-UHFFFAOYSA-N
XLogP3.25
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102715859
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
CID 83077155
3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
CID 62982531
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
3-chloro-4-(3-cyano-N-methylanilino)benzonitrile
CID 63094271
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]benzonitrile
CID 102918795
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102718398
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80958140
3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]benzonitrile
CID 115372194
3-[3-chloro-2-(chloromethyl)-N-methylanilino]benzonitrile
CID 63567830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile (CID 83076502) is 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile is CN(c1cccc(C#N)c1)c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile?
The InChIKey is COSDCSMUMHEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c1-19(12-4-2-3-10(5-12)8-16)14-7-11(9-17)6-13(15)18-14/h2-7H,1H3.
What are the key properties of 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile?
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile has a molecular weight of 268.71 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 83076502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).