4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile

C8H5BrF2N2 — CID 118817088

IUPAC4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(Br)c(C(F)F)c(C#N)n1
InChIInChI=1S/C8H5BrF2N2/c1-4-2-5(9)7(8(10)11)6(3-12)13-4/h2,8H,1H3
InChIKeyUMJJFLQSFOBEPF-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.96
Rot. Bonds1

About 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile

4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile (PubChem CID 118817088) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
PubChem CID118817088
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
SMILESCc1cc(Br)c(C(F)F)c(C#N)n1
InChIInChI=1S/C8H5BrF2N2/c1-4-2-5(9)7(8(10)11)6(3-12)13-4/h2,8H,1H3
InChIKeyUMJJFLQSFOBEPF-UHFFFAOYSA-N
XLogP2.96
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
2-chloro-3-(difluoromethyl)-6-methylpyridine-4-carbonitrile
CID 118998041
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
2-[4-bromo-5-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 118817667
3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130095837
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971
2-cyano-4-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 130078494
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
The IUPAC name of 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile (CID 118817088) is 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile is Cc1cc(Br)c(C(F)F)c(C#N)n1.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
The InChIKey is UMJJFLQSFOBEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c1-4-2-5(9)7(8(10)11)6(3-12)13-4/h2,8H,1H3.
What are the key properties of 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile?
4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile has a molecular weight of 247.04 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile is sourced from PubChem (CID 118817088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).