2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one

C14H8F3N3O — CID 156769369

IUPAC2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC=c2cnc(-c3cccc(C(F)(F)F)c3)nc2=N1
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)10-3-1-2-8(6-10)12-18-7-9-4-5-11(21)19-13(9)20-12/h1-4,6-7H,5H2
InChIKeyYISLPNRQBAQOMQ-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.49
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one

2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156769369) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID156769369
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=C1CC=c2cnc(-c3cccc(C(F)(F)F)c3)nc2=N1
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)10-3-1-2-8(6-10)12-18-7-9-4-5-11(21)19-13(9)20-12/h1-4,6-7H,5H2
InChIKeyYISLPNRQBAQOMQ-UHFFFAOYSA-N
XLogP1.49
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazin-6-one
CID 13365874
1-[4-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone
CID 62771012
5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 101484200
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
4-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 55114299
4-[5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenol
CID 4984154
2-(4-fluorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 11725302
6-benzyl-2-[3-(trifluoromethyl)phenyl]-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one
CID 134807681
2-(4-chlorophenyl)-5-methoxy-4-[3-(trifluoromethyl)phenyl]pyrimidine
CID 10428889
ethane;5-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 145084771
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
CID 62757672

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one (CID 156769369) is 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one is O=C1CC=c2cnc(-c3cccc(C(F)(F)F)c3)nc2=N1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YISLPNRQBAQOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)10-3-1-2-8(6-10)12-18-7-9-4-5-11(21)19-13(9)20-12/h1-4,6-7H,5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one?
2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 291.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-6H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156769369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).