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

C14H12ClN3 — CID 83077155

IUPAC2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
SMILESCc1ccccc1N(C)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H12ClN3/c1-10-5-3-4-6-12(10)18(2)14-8-11(9-16)7-13(15)17-14/h3-8H,1-2H3
InChIKeyUQUVQKNQCVRPPA-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.68
Rot. Bonds2

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

2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile (PubChem CID 83077155) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
PubChem CID83077155
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile
SMILESCc1ccccc1N(C)c1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H12ClN3/c1-10-5-3-4-6-12(10)18(2)14-8-11(9-16)7-13(15)17-14/h3-8H,1-2H3
InChIKeyUQUVQKNQCVRPPA-UHFFFAOYSA-N
XLogP3.68
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile (CID 83077155) is 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile is Cc1ccccc1N(C)c1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile?
The InChIKey is UQUVQKNQCVRPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-5-3-4-6-12(10)18(2)14-8-11(9-16)7-13(15)17-14/h3-8H,1-2H3.
What are the key properties of 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile?
2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(N,2-dimethylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 83077155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).