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

C7H5BrF3N — CID 130109381

IUPAC6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
SMILESCc1nc(Br)cc(F)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c1-3-6(7(10)11)4(9)2-5(8)12-3/h2,7H,1H3
InChIKeyCBTDGVRYGHTYGG-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.23
Rot. Bonds1

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

6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine (PubChem CID 130109381) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
PubChem CID130109381
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
SMILESCc1nc(Br)cc(F)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c1-3-6(7(10)11)4(9)2-5(8)12-3/h2,7H,1H3
InChIKeyCBTDGVRYGHTYGG-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130109306
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
2-[5-(difluoromethyl)-4-fluoro-6-methyl-2-pyridinyl]acetonitrile
CID 130081064
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
6-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109276
5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109403
[6-bromo-4-(difluoromethyl)-2-methyl-3-pyridinyl]methanamine
CID 130069170
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
4-bromo-5-(difluoromethyl)-6-methylpyridine-2-carbaldehyde
CID 118799535
3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
CID 130099661
6-bromo-3-fluoro-2-methylpyridine
CID 118703748

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine (CID 130109381) is 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine is Cc1nc(Br)cc(F)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
The InChIKey is CBTDGVRYGHTYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c1-3-6(7(10)11)4(9)2-5(8)12-3/h2,7H,1H3.
What are the key properties of 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine has a molecular weight of 240.02 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine is sourced from PubChem (CID 130109381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).