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

C14H7ClFNO2 — CID 105133326

IUPAC(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H7ClFNO2/c15-11-3-1-2-8-5-12(19-14(8)11)13(18)9-4-10(16)7-17-6-9/h1-7H
InChIKeyPFSKQABEMYPFDK-UHFFFAOYSA-N
MW275.67 g/mol
LogP3.85
Rot. Bonds2

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

(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 105133326) has the molecular formula C14H7ClFNO2 and a molecular weight of 275.67 g/mol. Its IUPAC name is (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID105133326
Molecular FormulaC14H7ClFNO2
Molecular Weight275.67 g/mol
Exact Mass275.01
IUPAC Name(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
SMILESO=C(c1cncc(F)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C14H7ClFNO2/c15-11-3-1-2-8-5-12(19-14(8)11)13(18)9-4-10(16)7-17-6-9/h1-7H
InChIKeyPFSKQABEMYPFDK-UHFFFAOYSA-N
XLogP3.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.67
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-bromo-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone
CID 105081902
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(4-bromophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 112614525
(7-chloro-1-benzofuran-2-yl)-(4-chloro-2,5-difluorophenyl)methanone
CID 115810891
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(4-bromo-3-chlorophenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 115810821
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
(3-bromo-2-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114726075
(7-chloro-1-benzofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 115810708
(7-chloro-1-benzofuran-2-yl)-(3,5-dibromo-2-pyridinyl)methanone
CID 114726081
(7-chloro-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methanone
CID 112614526

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone (CID 105133326) is (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone is O=C(c1cncc(F)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of (7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is PFSKQABEMYPFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFNO2/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-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone?
(7-chloro-1-benzofuran-2-yl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 275.67 g/mol, XLogP of 3.85, 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)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 105133326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).