2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile

C14H11BrClN3 — CID 83077417

IUPAC2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile
SMILESCc1cc(Br)cc(C)c1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H11BrClN3/c1-8-3-11(15)4-9(2)14(8)19-13-6-10(7-17)5-12(16)18-13/h3-6H,1-2H3,(H,18,19)
InChIKeyCFKGXZNPADSCDR-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.73
Rot. Bonds2

About 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile

2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile (PubChem CID 83077417) has the molecular formula C14H11BrClN3 and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile
PubChem CID83077417
Molecular FormulaC14H11BrClN3
Molecular Weight336.62 g/mol
Exact Mass334.98
IUPAC Name2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile
SMILESCc1cc(Br)cc(C)c1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H11BrClN3/c1-8-3-11(15)4-9(2)14(8)19-13-6-10(7-17)5-12(16)18-13/h3-6H,1-2H3,(H,18,19)
InChIKeyCFKGXZNPADSCDR-UHFFFAOYSA-N
XLogP4.73
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
2-chloro-6-(2,5-dibromoanilino)pyridine-4-carbonitrile
CID 83073282
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
CID 83076516
2-chloro-6-(3-fluoro-2-methylanilino)pyridine-4-carbonitrile
CID 83077396
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
CID 83076603
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
2-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-4-carbonitrile
CID 114766611
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile (CID 83077417) is 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile is Cc1cc(Br)cc(C)c1Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile?
The InChIKey is CFKGXZNPADSCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3/c1-8-3-11(15)4-9(2)14(8)19-13-6-10(7-17)5-12(16)18-13/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile?
2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile has a molecular weight of 336.62 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylanilino)-6-chloropyridine-4-carbonitrile is sourced from PubChem (CID 83077417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).