2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine

C6H4BrF4N — CID 147818514

IUPAC2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC1CC(C(F)(F)F)=CN=C1Br
InChIInChI=1S/C6H4BrF4N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h2,4H,1H2
InChIKeyHOTXCMNARKCTIO-UHFFFAOYSA-N
MW246.00 g/mol
LogP2.97
Rot. Bonds

About 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine

2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 147818514) has the molecular formula C6H4BrF4N and a molecular weight of 246.00 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID147818514
Molecular FormulaC6H4BrF4N
Molecular Weight246.00 g/mol
Exact Mass244.95
IUPAC Name2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC1CC(C(F)(F)F)=CN=C1Br
InChIInChI=1S/C6H4BrF4N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h2,4H,1H2
InChIKeyHOTXCMNARKCTIO-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.00
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine (CID 147818514) is 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine is FC1CC(C(F)(F)F)=CN=C1Br.
What is the InChIKey of 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is HOTXCMNARKCTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF4N/c7-5-4(8)1-3(2-12-5)6(9,10)11/h2,4H,1H2.
What are the key properties of 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 246.00 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 147818514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).