3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one

C13H12FNO — CID 174323463

IUPAC3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCc1cccc(Cn2cccc(F)c2=O)c1
InChIInChI=1S/C13H12FNO/c1-10-4-2-5-11(8-10)9-15-7-3-6-12(14)13(15)16/h2-8H,9H2,1H3
InChIKeyCTEOWERGXNXBIO-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.34
Rot. Bonds2

About 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one

3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one (PubChem CID 174323463) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
PubChem CID174323463
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
SMILESCc1cccc(Cn2cccc(F)c2=O)c1
InChIInChI=1S/C13H12FNO/c1-10-4-2-5-11(8-10)9-15-7-3-6-12(14)13(15)16/h2-8H,9H2,1H3
InChIKeyCTEOWERGXNXBIO-UHFFFAOYSA-N
XLogP2.34
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one (CID 174323463) is 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one is Cc1cccc(Cn2cccc(F)c2=O)c1.
What is the InChIKey of 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one?
The InChIKey is CTEOWERGXNXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-10-4-2-5-11(8-10)9-15-7-3-6-12(14)13(15)16/h2-8H,9H2,1H3.
What are the key properties of 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one?
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one has a molecular weight of 217.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 174323463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).