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

C8H5BrF5NO — CID 130068827

IUPAC3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)nc(C(F)F)c1Br
InChIInChI=1S/C8H5BrF5NO/c1-16-3-2-4(8(12,13)14)15-6(5(3)9)7(10)11/h2,7H,1H3
InChIKeyMDQBLMWAVWLLNY-UHFFFAOYSA-N
MW306.03 g/mol
LogP3.81
Rot. Bonds2

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

3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 130068827) has the molecular formula C8H5BrF5NO and a molecular weight of 306.03 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
PubChem CID130068827
Molecular FormulaC8H5BrF5NO
Molecular Weight306.03 g/mol
Exact Mass304.95
IUPAC Name3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1cc(C(F)(F)F)nc(C(F)F)c1Br
InChIInChI=1S/C8H5BrF5NO/c1-16-3-2-4(8(12,13)14)15-6(5(3)9)7(10)11/h2,7H,1H3
InChIKeyMDQBLMWAVWLLNY-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.03
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682
4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
CID 118806198
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
2-(difluoromethyl)-3-methoxy-4-nitro-6-(trifluoromethyl)pyridine
CID 118842821
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
3-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
6-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridin-3-ol
CID 130083334
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
CID 130068654
methyl 2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridine-4-carboxylate
CID 133104062
3-chloro-4-methoxy-6-(trifluoromethyl)pyridazine
CID 155242892

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine (CID 130068827) is 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine is COc1cc(C(F)(F)F)nc(C(F)F)c1Br.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is MDQBLMWAVWLLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO/c1-16-3-2-4(8(12,13)14)15-6(5(3)9)7(10)11/h2,7H,1H3.
What are the key properties of 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine?
3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 306.03 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 130068827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).