1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one

C13H11F3N2O — CID 151308963

IUPAC1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNCc1cccc(-n2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-5-12(19)18(8-10)11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2
InChIKeyOEAGJRJCQBPRFS-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.32
Rot. Bonds2

About 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one

1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 151308963) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID151308963
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNCc1cccc(-n2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-5-12(19)18(8-10)11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2
InChIKeyOEAGJRJCQBPRFS-UHFFFAOYSA-N
XLogP2.32
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
CID 25093743
5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 58016522
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279493
[3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 102818650
1-[3-(aminomethyl)phenyl]-3-methylbenzimidazol-2-one
CID 82513929
1-[3-(aminomethyl)phenyl]pyrrole-2-carbaldehyde
CID 170875375
1-[3-(aminomethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 68967881
1-[2-(aminomethyl)prop-2-enyl]-5-(trifluoromethyl)pyridin-2-one
CID 103072409
2-[3-(aminomethyl)phenyl]-3-methylideneisoindol-1-one
CID 63254739
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 64764832
3-(aminomethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 119044888

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one (CID 151308963) is 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one is NCc1cccc(-n2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OEAGJRJCQBPRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-4-5-12(19)18(8-10)11-3-1-2-9(6-11)7-17/h1-6,8H,7,17H2.
What are the key properties of 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one?
1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 268.24 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 151308963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).