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

C14H7BrClNO2 — CID 114726075

IUPAC(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1ncccc1Br
InChIInChI=1S/C14H7BrClNO2/c15-9-4-2-6-17-12(9)13(18)11-7-8-3-1-5-10(16)14(8)19-11/h1-7H
InChIKeyAMPSTNQWNCNLGE-UHFFFAOYSA-N
MW336.57 g/mol
LogP4.47
Rot. Bonds2

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

(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone (PubChem CID 114726075) has the molecular formula C14H7BrClNO2 and a molecular weight of 336.57 g/mol. Its IUPAC name is (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
PubChem CID114726075
Molecular FormulaC14H7BrClNO2
Molecular Weight336.57 g/mol
Exact Mass334.93
IUPAC Name(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cccc(Cl)c2o1)c1ncccc1Br
InChIInChI=1S/C14H7BrClNO2/c15-9-4-2-6-17-12(9)13(18)11-7-8-3-1-5-10(16)14(8)19-11/h1-7H
InChIKeyAMPSTNQWNCNLGE-UHFFFAOYSA-N
XLogP4.47
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526
(7-bromo-1-benzofuran-2-yl)-(3-chlorophenyl)methanone
CID 63547938
(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
N'-(7-bromo-1-benzofuran-2-carbonyl)pyridine-2-carbohydrazide
CID 39706116
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone (CID 114726075) is (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone is O=C(c1cc2cccc(Cl)c2o1)c1ncccc1Br.
What is the InChIKey of (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone?
The InChIKey is AMPSTNQWNCNLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClNO2/c15-9-4-2-6-17-12(9)13(18)11-7-8-3-1-5-10(16)14(8)19-11/h1-7H.
What are the key properties of (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone?
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone has a molecular weight of 336.57 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 114726075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).