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

C14H6Br2ClNO2 — CID 114726081

IUPAC(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H6Br2ClNO2/c15-8-5-9(16)12(18-6-8)13(19)11-4-7-2-1-3-10(17)14(7)20-11/h1-6H
InChIKeyRFUDARJGWAFATE-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.24
Rot. Bonds2

About (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone

(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone (PubChem CID 114726081) has the molecular formula C14H6Br2ClNO2 and a molecular weight of 415.47 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
PubChem CID114726081
Molecular FormulaC14H6Br2ClNO2
Molecular Weight415.47 g/mol
Exact Mass412.85
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1ncc(Br)cc1Br
InChIInChI=1S/C14H6Br2ClNO2/c15-8-5-9(16)12(18-6-8)13(19)11-4-7-2-1-3-10(17)14(7)20-11/h1-6H
InChIKeyRFUDARJGWAFATE-UHFFFAOYSA-N
XLogP5.24
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(3,5-dibromo-2-pyridinyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114726080
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
(3-bromo-4-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810874
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(5-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanol
CID 114724758

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone (CID 114726081) is (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone is O=C(c1cc2cccc(Cl)c2o1)c1ncc(Br)cc1Br.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone?
The InChIKey is RFUDARJGWAFATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2ClNO2/c15-8-5-9(16)12(18-6-8)13(19)11-4-7-2-1-3-10(17)14(7)20-11/h1-6H.
What are the key properties of (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone has a molecular weight of 415.47 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone is sourced from PubChem (CID 114726081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).