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

C7H5BrF3N — CID 130109403

IUPAC5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
SMILESCc1ncc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,7H,1H3
InChIKeyOTJOQXAQDAHAKB-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.23
Rot. Bonds1

About 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine

5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine (PubChem CID 130109403) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
PubChem CID130109403
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
SMILESCc1ncc(Br)c(F)c1C(F)F
InChIInChI=1S/C7H5BrF3N/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,7H,1H3
InChIKeyOTJOQXAQDAHAKB-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

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Related Compounds

3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
5-bromo-3-(difluoromethyl)-4-fluoropyridin-2-amine
CID 119016781
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899
2-bromo-3-(difluoromethyl)-4-fluoro-5-methylpyridine
CID 119002035
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
CID 134685203
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-sulfonyl chloride
CID 118817278
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
5-bromo-2-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130109300

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
The IUPAC name of 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine (CID 130109403) is 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine is Cc1ncc(Br)c(F)c1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
The InChIKey is OTJOQXAQDAHAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c1-3-5(7(10)11)6(9)4(8)2-12-3/h2,7H,1H3.
What are the key properties of 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine?
5-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 5-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine is sourced from PubChem (CID 130109403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).