2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde

C11H8F3N3O2 — CID 178097924

IUPAC2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde
SMILESCc1nc2nc(C(F)(F)F)c(C=O)c(C)c2c(=O)[nH]1
InChIInChI=1S/C11H8F3N3O2/c1-4-6(3-18)8(11(12,13)14)17-9-7(4)10(19)16-5(2)15-9/h3H,1-2H3,(H,15,16,17,19)
InChIKeyIHKDHZRRODOZRE-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.77
Rot. Bonds1

About 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde

2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 178097924) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID178097924
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde
SMILESCc1nc2nc(C(F)(F)F)c(C=O)c(C)c2c(=O)[nH]1
InChIInChI=1S/C11H8F3N3O2/c1-4-6(3-18)8(11(12,13)14)17-9-7(4)10(19)16-5(2)15-9/h3H,1-2H3,(H,15,16,17,19)
InChIKeyIHKDHZRRODOZRE-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-Amino-6-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 12691493
5,12-Dimethyl-10-(trifluoromethyl)-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,4,9,11-pentaen-8-one
CID 8005173
2-Amino-6,7-dimethylpyrido[2,3-d]pyrimidin-4-ol
CID 135403628
2-Amino-4,6-bis(trifluoromethyl)pyridine-3-carboxamide
CID 13148076
5-methyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 134914727
7-methyl-5-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 134987146
5-(4-Fluorophenyl)-6-formyl-1,2-dihydro-7-isopropyl-2-oxo-1,8-naphthyridine
CID 14850558
5,7-dimethyl-2-(trifluoromethyl)-1H-1,8-naphthyridin-4-one
CID 54540552
N-(5-fluoro-3-formyl-6-methyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 87068895
2-cyclobutyl-7-(trifluoro-methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 136386254
2-(cyclobutadienyl)-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136386255

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde (CID 178097924) is 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde is Cc1nc2nc(C(F)(F)F)c(C=O)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is IHKDHZRRODOZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-4-6(3-18)8(11(12,13)14)17-9-7(4)10(19)16-5(2)15-9/h3H,1-2H3,(H,15,16,17,19).
What are the key properties of 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde?
2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 271.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 178097924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).