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

C8H2BrF8NO — CID 118839758

IUPAC4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1c(C(F)(F)F)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C8H2BrF8NO/c9-4-2(19-8(15,16)17)1-18-5(7(12,13)14)3(4)6(10)11/h1,6H
InChIKeyNDIQTNXUABAXEP-UHFFFAOYSA-N
MW360.00 g/mol
LogP4.70
Rot. Bonds2

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

4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (PubChem CID 118839758) has the molecular formula C8H2BrF8NO and a molecular weight of 360.00 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
PubChem CID118839758
Molecular FormulaC8H2BrF8NO
Molecular Weight360.00 g/mol
Exact Mass358.92
IUPAC Name4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
SMILESFC(F)c1c(C(F)(F)F)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C8H2BrF8NO/c9-4-2(19-8(15,16)17)1-18-5(7(12,13)14)3(4)6(10)11/h1,6H
InChIKeyNDIQTNXUABAXEP-UHFFFAOYSA-N
XLogP4.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.00
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665599
4-bromo-2-(difluoromethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 118811379
2,3,4-tribromo-5-(trifluoromethoxy)pyridine
CID 118809447
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322
4-bromo-2-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine
CID 118845681
3-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridin-2-amine
CID 119021668
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119015246
3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
4-(bromomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134665598
5-bromo-3-(difluoromethyl)-4-nitro-2-(trifluoromethyl)pyridine
CID 134685339
[4-(difluoromethyl)-2-fluoro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118846428

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine (CID 118839758) is 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is FC(F)c1c(C(F)(F)F)ncc(OC(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
The InChIKey is NDIQTNXUABAXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrF8NO/c9-4-2(19-8(15,16)17)1-18-5(7(12,13)14)3(4)6(10)11/h1,6H.
What are the key properties of 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine?
4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine has a molecular weight of 360.00 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(difluoromethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118839758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).