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

C8H5BrF2N2 — CID 130108695

IUPAC6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(Br)nc(C#N)c1C(F)F
InChIInChI=1S/C8H5BrF2N2/c1-4-2-6(9)13-5(3-12)7(4)8(10)11/h2,8H,1H3
InChIKeyMONBRCUBODXBOW-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.96
Rot. Bonds1

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

6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile (PubChem CID 130108695) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
PubChem CID130108695
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
SMILESCc1cc(Br)nc(C#N)c1C(F)F
InChIInChI=1S/C8H5BrF2N2/c1-4-2-6(9)13-5(3-12)7(4)8(10)11/h2,8H,1H3
InChIKeyMONBRCUBODXBOW-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

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 118817088
6-(chloromethyl)-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130078267
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carbonyl chloride
CID 134662971
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
6-bromo-2,4-dimethylpyridine-3-carbonitrile
CID 130825112
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile (CID 130108695) is 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile is Cc1cc(Br)nc(C#N)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
The InChIKey is MONBRCUBODXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c1-4-2-6(9)13-5(3-12)7(4)8(10)11/h2,8H,1H3.
What are the key properties of 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile?
6-bromo-3-(difluoromethyl)-4-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 6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 130108695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).