2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one

C12H10FNO — CID 53229221

IUPAC2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one
SMILESCc1c(F)cccc1-c1cc(=O)cc[nH]1
InChIInChI=1S/C12H10FNO/c1-8-10(3-2-4-11(8)13)12-7-9(15)5-6-14-12/h2-7H,1H3,(H,14,15)
InChIKeyCZXRBRWBCRUGGP-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.49
Rot. Bonds1

About 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one

2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one (PubChem CID 53229221) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one
PubChem CID53229221
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one
SMILESCc1c(F)cccc1-c1cc(=O)cc[nH]1
InChIInChI=1S/C12H10FNO/c1-8-10(3-2-4-11(8)13)12-7-9(15)5-6-14-12/h2-7H,1H3,(H,14,15)
InChIKeyCZXRBRWBCRUGGP-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one?
The IUPAC name of 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one (CID 53229221) is 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one is Cc1c(F)cccc1-c1cc(=O)cc[nH]1.
What is the InChIKey of 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one?
The InChIKey is CZXRBRWBCRUGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-8-10(3-2-4-11(8)13)12-7-9(15)5-6-14-12/h2-7H,1H3,(H,14,15).
What are the key properties of 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one?
2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one has a molecular weight of 203.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylphenyl)-1H-pyridin-4-one is sourced from PubChem (CID 53229221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).