3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one

C12H11FN2O — CID 84683537

IUPAC3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one
SMILESNCc1c(-c2cccc(F)c2)cc[nH]c1=O
InChIInChI=1S/C12H11FN2O/c13-9-3-1-2-8(6-9)10-4-5-15-12(16)11(10)7-14/h1-6H,7,14H2,(H,15,16)
InChIKeyVKLJOIOPRSJLMN-UHFFFAOYSA-N
MW218.23 g/mol
LogP1.64
Rot. Bonds2

About 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one

3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one (PubChem CID 84683537) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one
PubChem CID84683537
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one
SMILESNCc1c(-c2cccc(F)c2)cc[nH]c1=O
InChIInChI=1S/C12H11FN2O/c13-9-3-1-2-8(6-9)10-4-5-15-12(16)11(10)7-14/h1-6H,7,14H2,(H,15,16)
InChIKeyVKLJOIOPRSJLMN-UHFFFAOYSA-N
XLogP1.64
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(3-fluorophenyl)-1H-pyrrole-2-carboxylate
CID 79324807
4-phenyl-3-prop-2-enyl-1H-pyridin-2-one
CID 102271790
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
2-[2-fluoro-6-(3-fluorophenyl)phenyl]acetamide
CID 46212439
3-(3-fluorophenyl)-1-trityl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 135829582
[2-(3-fluorophenyl)-4-pyridinyl]methanamine;dihydrochloride
CID 171365586
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 46312799
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 105423308
2-[2-(3-fluorophenyl)phenyl]ethanamine;hydrochloride
CID 164885898
4-(3-fluorophenyl)naphthalen-1-amine
CID 171396853
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one (CID 84683537) is 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one is NCc1c(-c2cccc(F)c2)cc[nH]c1=O.
What is the InChIKey of 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one?
The InChIKey is VKLJOIOPRSJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-9-3-1-2-8(6-9)10-4-5-15-12(16)11(10)7-14/h1-6H,7,14H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one?
3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one has a molecular weight of 218.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 84683537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).