4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C7H7F3N2O — CID 105445628

IUPAC4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-3-12-6(13)1-4(5)2-11/h1,3H,2,11H2,(H,12,13)
InChIKeyUMHVBSNXZDOHKG-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.85
Rot. Bonds1

About 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one

4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 105445628) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID105445628
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESNCc1cc(=O)[nH]cc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)5-3-12-6(13)1-4(5)2-11/h1,3H,2,11H2,(H,12,13)
InChIKeyUMHVBSNXZDOHKG-UHFFFAOYSA-N
XLogP0.85
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 105445628) is 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is NCc1cc(=O)[nH]cc1C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is UMHVBSNXZDOHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)5-3-12-6(13)1-4(5)2-11/h1,3H,2,11H2,(H,12,13).
What are the key properties of 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 105445628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).