2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine

C17H10BrF2N — CID 140898227

IUPAC2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine
SMILESFc1cc(Br)cc(-c2cc(-c3ccccc3)c(F)cn2)c1
InChIInChI=1S/C17H10BrF2N/c18-13-6-12(7-14(19)8-13)17-9-15(16(20)10-21-17)11-4-2-1-3-5-11/h1-10H
InChIKeyWDCDNGUCGIFRHD-UHFFFAOYSA-N
MW346.17 g/mol
LogP5.46
Rot. Bonds2

About 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine

2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine (PubChem CID 140898227) has the molecular formula C17H10BrF2N and a molecular weight of 346.17 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine
PubChem CID140898227
Molecular FormulaC17H10BrF2N
Molecular Weight346.17 g/mol
Exact Mass345.00
IUPAC Name2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine
SMILESFc1cc(Br)cc(-c2cc(-c3ccccc3)c(F)cn2)c1
InChIInChI=1S/C17H10BrF2N/c18-13-6-12(7-14(19)8-13)17-9-15(16(20)10-21-17)11-4-2-1-3-5-11/h1-10H
InChIKeyWDCDNGUCGIFRHD-UHFFFAOYSA-N
XLogP5.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.17
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine (CID 140898227) is 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine is Fc1cc(Br)cc(-c2cc(-c3ccccc3)c(F)cn2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine?
The InChIKey is WDCDNGUCGIFRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2N/c18-13-6-12(7-14(19)8-13)17-9-15(16(20)10-21-17)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine?
2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine has a molecular weight of 346.17 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-5-fluoro-4-phenylpyridine is sourced from PubChem (CID 140898227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).