1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

C12H10F3N3O — CID 122516859

IUPAC1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESNCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19/h1-6H,7,16H2
InChIKeyKHKQQQLOLBEJES-UHFFFAOYSA-N
MW269.23 g/mol
LogP1.71
Rot. Bonds2

About 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 122516859) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
PubChem CID122516859
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESNCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3O/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19/h1-6H,7,16H2
InChIKeyKHKQQQLOLBEJES-UHFFFAOYSA-N
XLogP1.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (CID 122516859) is 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is NCc1cc(-n2ccccc2=O)nc(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The InChIKey is KHKQQQLOLBEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c13-12(14,15)9-5-8(7-16)6-10(17-9)18-4-2-1-3-11(18)19/h1-6H,7,16H2.
What are the key properties of 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one has a molecular weight of 269.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 122516859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).