1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one

C16H12ClNO2 — CID 105133323

IUPAC1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H12ClNO2/c17-13-3-1-2-12-10-15(20-16(12)13)14(19)5-4-11-6-8-18-9-7-11/h1-3,6-10H,4-5H2
InChIKeyLFKAWPJZZJIKSI-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.30
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one

1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 105133323) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID105133323
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C16H12ClNO2/c17-13-3-1-2-12-10-15(20-16(12)13)14(19)5-4-11-6-8-18-9-7-11/h1-3,6-10H,4-5H2
InChIKeyLFKAWPJZZJIKSI-UHFFFAOYSA-N
XLogP4.30
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
4-(2-aminoethyl)-1-(7-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736821
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopentylsulfanylethanone
CID 114725382
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105133326
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one (CID 105133323) is 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is LFKAWPJZZJIKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-3-1-2-12-10-15(20-16(12)13)14(19)5-4-11-6-8-18-9-7-11/h1-3,6-10H,4-5H2.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one?
1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 285.73 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 105133323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).