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

C16H12FNO2 — CID 105122775

IUPAC(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C16H12FNO2/c1-9-5-11(8-18-7-9)15(19)16-10(2)13-6-12(17)3-4-14(13)20-16/h3-8H,1-2H3
InChIKeyVKNHHWDJFGEHNF-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.81
Rot. Bonds2

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

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 105122775) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID105122775
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2oc3ccc(F)cc3c2C)c1
InChIInChI=1S/C16H12FNO2/c1-9-5-11(8-18-7-9)15(19)16-10(2)13-6-12(17)3-4-14(13)20-16/h3-8H,1-2H3
InChIKeyVKNHHWDJFGEHNF-UHFFFAOYSA-N
XLogP3.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-3-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 79003791
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(4-iodophenyl)methanone
CID 103606798
(3,4-dimethylphenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723127
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methylthiophen-2-yl)methanone
CID 112723138
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105132457
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105130270

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone (CID 105122775) is (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2oc3ccc(F)cc3c2C)c1.
What is the InChIKey of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is VKNHHWDJFGEHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-9-5-11(8-18-7-9)15(19)16-10(2)13-6-12(17)3-4-14(13)20-16/h3-8H,1-2H3.
What are the key properties of (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone?
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 269.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-methyl-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105122775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).