4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine

C8H5BrF5NO — CID 118806198

IUPAC4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1cnc(C(F)F)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H5BrF5NO/c1-16-3-2-15-6(7(10)11)4(5(3)9)8(12,13)14/h2,7H,1H3
InChIKeyNIHTXIPZGCJCPB-UHFFFAOYSA-N
MW306.03 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine

4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine (PubChem CID 118806198) has the molecular formula C8H5BrF5NO and a molecular weight of 306.03 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
PubChem CID118806198
Molecular FormulaC8H5BrF5NO
Molecular Weight306.03 g/mol
Exact Mass304.95
IUPAC Name4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine
SMILESCOc1cnc(C(F)F)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H5BrF5NO/c1-16-3-2-15-6(7(10)11)4(5(3)9)8(12,13)14/h2,7H,1H3
InChIKeyNIHTXIPZGCJCPB-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

4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-(difluoromethyl)-3,4-difluoro-5-methoxypyridine
CID 130099673
5-bromo-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
CID 134670864
3-bromo-2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridine
CID 130068827
2-(difluoromethyl)-4-fluoro-5-methoxy-3-methylpyridine
CID 130080514
2,3-dibromo-4-(difluoromethyl)-5-methoxypyridine
CID 118992622
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429
6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118814688
3-(bromomethyl)-2-(difluoromethyl)-5-methoxy-4-methylpyridine
CID 130087813

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine (CID 118806198) is 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine is COc1cnc(C(F)F)c(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine?
The InChIKey is NIHTXIPZGCJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF5NO/c1-16-3-2-15-6(7(10)11)4(5(3)9)8(12,13)14/h2,7H,1H3.
What are the key properties of 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine?
4-bromo-2-(difluoromethyl)-5-methoxy-3-(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 4-bromo-2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118806198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).