(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone

C15H10FNO2 — CID 114877497

IUPAC(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H10FNO2/c1-9-5-6-17-8-11(9)14(18)13-7-10-3-2-4-12(16)15(10)19-13/h2-8H,1H3
InChIKeyCBPBJBWIQAJGAC-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.51
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone

(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 114877497) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID114877497
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H10FNO2/c1-9-5-6-17-8-11(9)14(18)13-7-10-3-2-4-12(16)15(10)19-13/h2-8H,1H3
InChIKeyCBPBJBWIQAJGAC-UHFFFAOYSA-N
XLogP3.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(4-bromo-2-methoxyphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115810045
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone (CID 114877497) is (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is CBPBJBWIQAJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-9-5-6-17-8-11(9)14(18)13-7-10-3-2-4-12(16)15(10)19-13/h2-8H,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 255.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114877497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).