(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone

C14H7BrFNO2 — CID 105081902

IUPAC(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H7BrFNO2/c15-11-3-1-2-8-5-12(19-14(8)11)13(18)9-4-10(16)7-17-6-9/h1-7H
InChIKeyISMDWROYSZBIDF-UHFFFAOYSA-N
MW320.12 g/mol
LogP3.96
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone

(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 105081902) has the molecular formula C14H7BrFNO2 and a molecular weight of 320.12 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID105081902
Molecular FormulaC14H7BrFNO2
Molecular Weight320.12 g/mol
Exact Mass318.96
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H7BrFNO2/c15-11-3-1-2-8-5-12(19-14(8)11)13(18)9-4-10(16)7-17-6-9/h1-7H
InChIKeyISMDWROYSZBIDF-UHFFFAOYSA-N
XLogP3.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.12
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(7-bromo-1-benzofuran-2-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 105124504
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125170
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-(7-bromo-1-benzofuran-2-yl)-2-(4-fluorophenyl)ethanone
CID 105078433
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(3-bromo-4-fluorophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 82809772
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone (CID 105081902) is (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is ISMDWROYSZBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFNO2/c15-11-3-1-2-8-5-12(19-14(8)11)13(18)9-4-10(16)7-17-6-9/h1-7H.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 320.12 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 105081902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).