1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one

C12H10F3N3O — CID 138648730

IUPAC1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCNc1ccc(-n2cccc(C(F)(F)F)c2=O)cn1
InChIInChI=1S/C12H10F3N3O/c1-16-10-5-4-8(7-17-10)18-6-2-3-9(11(18)19)12(13,14)15/h2-7H,1H3,(H,16,17)
InChIKeyDTDHGKFIMBXFKD-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.29
Rot. Bonds2

About 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one

1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 138648730) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID138648730
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one
SMILESCNc1ccc(-n2cccc(C(F)(F)F)c2=O)cn1
InChIInChI=1S/C12H10F3N3O/c1-16-10-5-4-8(7-17-10)18-6-2-3-9(11(18)19)12(13,14)15/h2-7H,1H3,(H,16,17)
InChIKeyDTDHGKFIMBXFKD-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one (CID 138648730) is 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one is CNc1ccc(-n2cccc(C(F)(F)F)c2=O)cn1.
What is the InChIKey of 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is DTDHGKFIMBXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-16-10-5-4-8(7-17-10)18-6-2-3-9(11(18)19)12(13,14)15/h2-7H,1H3,(H,16,17).
What are the key properties of 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one?
1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 269.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 138648730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).