4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile

C13H8BrClN2 — CID 82094973

IUPAC4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Br)cc2)c(C#N)c(Cl)n1
InChIInChI=1S/C13H8BrClN2/c1-8-6-11(12(7-16)13(15)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3
InChIKeyMCKJZSIAWZIONL-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.34
Rot. Bonds1

About 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile

4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile (PubChem CID 82094973) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
PubChem CID82094973
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Br)cc2)c(C#N)c(Cl)n1
InChIInChI=1S/C13H8BrClN2/c1-8-6-11(12(7-16)13(15)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3
InChIKeyMCKJZSIAWZIONL-UHFFFAOYSA-N
XLogP4.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[4-(4-bromophenyl)-3-cyano-6-methyl-2-pyridinyl]sulfanyl]acetate
CID 10023329
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
N'-[4-(4-bromophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 171367060
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
4-(4-bromophenyl)-6-(5-chloro-2-methylphenyl)-1,3,5-triazine-2-carbonitrile
CID 69014405
2-chloro-6-(4-methylphenyl)-4-(4-phenoxyphenyl)pyridine-3-carbonitrile;2,6-dichloro-4-(4-phenoxyphenyl)pyridine-3-carbonitrile
CID 157410503
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 6462785
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390
4-(4-bromophenyl)-6-methyl-2,3-diphenylpyridine
CID 134944928
6-(4-bromophenyl)-2-(methylsulfanylmethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3326274
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile (CID 82094973) is 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile is Cc1cc(-c2ccc(Br)cc2)c(C#N)c(Cl)n1.
What is the InChIKey of 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile?
The InChIKey is MCKJZSIAWZIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c1-8-6-11(12(7-16)13(15)17-8)9-2-4-10(14)5-3-9/h2-6H,1H3.
What are the key properties of 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile?
4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile has a molecular weight of 307.58 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-chloro-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 82094973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).