6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine

C8H5BrF5N — CID 130069265

IUPAC6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(Br)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5BrF5N/c1-3-2-4(9)15-6(8(12,13)14)5(3)7(10)11/h2,7H,1H3
InChIKeyBGLALHMVNDXEMM-UHFFFAOYSA-N
MW290.03 g/mol
LogP4.11
Rot. Bonds1

About 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine

6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine (PubChem CID 130069265) has the molecular formula C8H5BrF5N and a molecular weight of 290.03 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
PubChem CID130069265
Molecular FormulaC8H5BrF5N
Molecular Weight290.03 g/mol
Exact Mass288.95
IUPAC Name6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(Br)nc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H5BrF5N/c1-3-2-4(9)15-6(8(12,13)14)5(3)7(10)11/h2,7H,1H3
InChIKeyBGLALHMVNDXEMM-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.03
LogP ≤ 54.11
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)-2-(trifluoromethyl)pyridine-4-carbonitrile
CID 130108881
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-carbonitrile
CID 130108695
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonyl chloride
CID 130069589
6-bromo-3-(difluoromethyl)-4-methylpyridine-2-sulfonamide
CID 130069630
3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine
CID 130086110
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
2-bromo-3-(difluoromethyl)-6-iodo-4-methylpyridine
CID 119006944
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine (CID 130069265) is 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine is Cc1cc(Br)nc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is BGLALHMVNDXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5N/c1-3-2-4(9)15-6(8(12,13)14)5(3)7(10)11/h2,7H,1H3.
What are the key properties of 6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine?
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 290.03 g/mol, XLogP of 4.11, 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-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130069265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).