4-bromo-3,5-bis(trifluoromethyl)pyridine

C7H2BrF6N — CID 131530790

IUPAC4-bromo-3,5-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(C(F)(F)F)c1Br
InChIInChI=1S/C7H2BrF6N/c8-5-3(6(9,10)11)1-15-2-4(5)7(12,13)14/h1-2H
InChIKeyRYSQUWOHPWYJDP-UHFFFAOYSA-N
MW293.99 g/mol
LogP3.88
Rot. Bonds

About 4-bromo-3,5-bis(trifluoromethyl)pyridine

4-bromo-3,5-bis(trifluoromethyl)pyridine (PubChem CID 131530790) has the molecular formula C7H2BrF6N and a molecular weight of 293.99 g/mol. Its IUPAC name is 4-bromo-3,5-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-3,5-bis(trifluoromethyl)pyridine
PubChem CID131530790
Molecular FormulaC7H2BrF6N
Molecular Weight293.99 g/mol
Exact Mass292.93
IUPAC Name4-bromo-3,5-bis(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cncc(C(F)(F)F)c1Br
InChIInChI=1S/C7H2BrF6N/c8-5-3(6(9,10)11)1-15-2-4(5)7(12,13)14/h1-2H
InChIKeyRYSQUWOHPWYJDP-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.99
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-fluoro-5-(trifluoromethyl)pyridine
CID 118839587
4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118810424
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
3-bromo-4-methyl-5-(trifluoromethyl)pyridine
CID 59636175
4-bromo-5-(trifluoromethyl)pyrimidine
CID 118816144
2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131307198
4-bromo-3-tert-butyl-5-fluoropyridine
CID 146377302
3-chloro-4-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130095577
4-(bromomethyl)-3-(trifluoromethyl)pyridine
CID 118704049
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
CID 134638808
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130766545

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-bis(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-3,5-bis(trifluoromethyl)pyridine (CID 131530790) is 4-bromo-3,5-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-3,5-bis(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-3,5-bis(trifluoromethyl)pyridine is FC(F)(F)c1cncc(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-3,5-bis(trifluoromethyl)pyridine?
The InChIKey is RYSQUWOHPWYJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF6N/c8-5-3(6(9,10)11)1-15-2-4(5)7(12,13)14/h1-2H.
What are the key properties of 4-bromo-3,5-bis(trifluoromethyl)pyridine?
4-bromo-3,5-bis(trifluoromethyl)pyridine has a molecular weight of 293.99 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 131530790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).