4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C8H7ClF3N3 — CID 18456520

IUPAC4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C8H7ClF3N3/c9-6-4-1-2-13-3-5(4)14-7(15-6)8(10,11)12/h13H,1-3H2
InChIKeyYXZCCWINWURAGH-UHFFFAOYSA-N
MW237.61 g/mol
LogP1.79
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 18456520) has the molecular formula C8H7ClF3N3 and a molecular weight of 237.61 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID18456520
Molecular FormulaC8H7ClF3N3
Molecular Weight237.61 g/mol
Exact Mass237.03
IUPAC Name4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C8H7ClF3N3/c9-6-4-1-2-13-3-5(4)14-7(15-6)8(10,11)12/h13H,1-3H2
InChIKeyYXZCCWINWURAGH-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 18456520) is 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is FC(F)(F)c1nc(Cl)c2c(n1)CNCC2.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is YXZCCWINWURAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3/c9-6-4-1-2-13-3-5(4)14-7(15-6)8(10,11)12/h13H,1-3H2.
What are the key properties of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 237.61 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 18456520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).