(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone

C14H6Br2FNO2 — CID 114726080

IUPAC(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H6Br2FNO2/c15-8-5-10(16)13(18-6-8)14(19)12-4-7-3-9(17)1-2-11(7)20-12/h1-6H
InChIKeyHLGJJXVXWPQRQX-UHFFFAOYSA-N
MW399.01 g/mol
LogP4.72
Rot. Bonds2

About (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone

(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 114726080) has the molecular formula C14H6Br2FNO2 and a molecular weight of 399.01 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID114726080
Molecular FormulaC14H6Br2FNO2
Molecular Weight399.01 g/mol
Exact Mass396.87
IUPAC Name(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H6Br2FNO2/c15-8-5-10(16)13(18-6-8)14(19)12-4-7-3-9(17)1-2-11(7)20-12/h1-6H
InChIKeyHLGJJXVXWPQRQX-UHFFFAOYSA-N
XLogP4.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.01
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107538000
(5-fluoro-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725837
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115808106
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(5-fluoro-1-benzofuran-2-yl)-(1-methylimidazol-4-yl)methanone
CID 107977441
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(5-fluoro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 105132324

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 114726080) is (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(F)ccc2o1)c1ncc(Br)cc1Br.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is HLGJJXVXWPQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2FNO2/c15-8-5-10(16)13(18-6-8)14(19)12-4-7-3-9(17)1-2-11(7)20-12/h1-6H.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 399.01 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114726080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).