3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine

C7H4BrF4NO — CID 130960982

IUPAC3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1nc(OC(F)(F)F)c(F)cc1Br
InChIInChI=1S/C7H4BrF4NO/c1-3-4(8)2-5(9)6(13-3)14-7(10,11)12/h2H,1H3
InChIKeyVNMNRAHKDPHSLN-UHFFFAOYSA-N
MW274.01 g/mol
LogP3.19
Rot. Bonds1

About 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine

3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine (PubChem CID 130960982) has the molecular formula C7H4BrF4NO and a molecular weight of 274.01 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
PubChem CID130960982
Molecular FormulaC7H4BrF4NO
Molecular Weight274.01 g/mol
Exact Mass272.94
IUPAC Name3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1nc(OC(F)(F)F)c(F)cc1Br
InChIInChI=1S/C7H4BrF4NO/c1-3-4(8)2-5(9)6(13-3)14-7(10,11)12/h2H,1H3
InChIKeyVNMNRAHKDPHSLN-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-fluoro-2-methoxy-6-methylpyridine
CID 52982885
5-bromo-6-methyl-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131613573
2-bromo-5-fluoro-6-methyl-3-(trifluoromethoxy)pyridine
CID 119009127
CID 178141963
CID 178141963
3,6-dibromo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130093635
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
CID 131118784
5-bromo-3-methyl-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096047
3-chloro-5-iodo-2-methyl-6-(trifluoromethoxy)pyridine
CID 130883042
3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
CID 130112551
5-(difluoromethyl)-3-fluoro-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134659755
4,6-dibromo-3-iodo-2-(trifluoromethoxy)pyridine
CID 118812318
2-[5-(aminomethyl)-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670667

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine (CID 130960982) is 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine is Cc1nc(OC(F)(F)F)c(F)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine?
The InChIKey is VNMNRAHKDPHSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO/c1-3-4(8)2-5(9)6(13-3)14-7(10,11)12/h2H,1H3.
What are the key properties of 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine?
3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine has a molecular weight of 274.01 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-methyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130960982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).