6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile

C14H12ClN3 — CID 82120847

IUPAC6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(Nc2ccc(C#N)cn2)c(Cl)c1
InChIInChI=1S/C14H12ClN3/c1-9-5-10(2)14(12(15)6-9)18-13-4-3-11(7-16)8-17-13/h3-6,8H,1-2H3,(H,17,18)
InChIKeyZXRWGLSGWVSSCO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.97
Rot. Bonds2

About 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile

6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile (PubChem CID 82120847) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
PubChem CID82120847
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(Nc2ccc(C#N)cn2)c(Cl)c1
InChIInChI=1S/C14H12ClN3/c1-9-5-10(2)14(12(15)6-9)18-13-4-3-11(7-16)8-17-13/h3-6,8H,1-2H3,(H,17,18)
InChIKeyZXRWGLSGWVSSCO-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 ≤ 500257.72
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-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile (CID 82120847) is 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile is Cc1cc(C)c(Nc2ccc(C#N)cn2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
The InChIKey is ZXRWGLSGWVSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-5-10(2)14(12(15)6-9)18-13-4-3-11(7-16)8-17-13/h3-6,8H,1-2H3,(H,17,18).
What are the key properties of 6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile?
6-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile has a molecular weight of 257.72 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-(2-chloro-4,6-dimethylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 82120847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).