4-bromo-3-fluoro-5-(trifluoromethyl)pyridine

C6H2BrF4N — CID 118839587

IUPAC4-bromo-3-fluoro-5-(trifluoromethyl)pyridine
SMILESFc1cncc(C(F)(F)F)c1Br
InChIInChI=1S/C6H2BrF4N/c7-5-3(6(9,10)11)1-12-2-4(5)8/h1-2H
InChIKeyLHXPYPFDPLCJSM-UHFFFAOYSA-N
MW243.98 g/mol
LogP3.00
Rot. Bonds

About 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine

4-bromo-3-fluoro-5-(trifluoromethyl)pyridine (PubChem CID 118839587) has the molecular formula C6H2BrF4N and a molecular weight of 243.98 g/mol. Its IUPAC name is 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-3-fluoro-5-(trifluoromethyl)pyridine
PubChem CID118839587
Molecular FormulaC6H2BrF4N
Molecular Weight243.98 g/mol
Exact Mass242.93
IUPAC Name4-bromo-3-fluoro-5-(trifluoromethyl)pyridine
SMILESFc1cncc(C(F)(F)F)c1Br
InChIInChI=1S/C6H2BrF4N/c7-5-3(6(9,10)11)1-12-2-4(5)8/h1-2H
InChIKeyLHXPYPFDPLCJSM-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.98
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-bis(trifluoromethyl)pyridine
CID 131530790
4-bromo-3-tert-butyl-5-fluoropyridine
CID 146377302
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
2-[3-fluoro-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 131143629
4-bromo-5-(trifluoromethyl)pyrimidine
CID 118816144
2-bromo-5-chloro-1-fluoro-3-(trifluoromethyl)benzene
CID 131150225
4-fluoro-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 130766545
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
2-[3-bromo-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 131307198
3-bromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridine
CID 138396389

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine (CID 118839587) is 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine is Fc1cncc(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine?
The InChIKey is LHXPYPFDPLCJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF4N/c7-5-3(6(9,10)11)1-12-2-4(5)8/h1-2H.
What are the key properties of 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine?
4-bromo-3-fluoro-5-(trifluoromethyl)pyridine has a molecular weight of 243.98 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118839587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).