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

C8H9ClF3N3 — CID 18456518

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncc2c(n1)CNCC2
InChIInChI=1S/C8H8F3N3.ClH/c9-8(10,11)7-13-3-5-1-2-12-4-6(5)14-7;/h3,12H,1-2,4H2;1H
InChIKeyYVWXWOWBRZPBEA-UHFFFAOYSA-N
MW239.63 g/mol
LogP1.56
Rot. Bonds

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

2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 18456518) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID18456518
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncc2c(n1)CNCC2
InChIInChI=1S/C8H8F3N3.ClH/c9-8(10,11)7-13-3-5-1-2-12-4-6(5)14-7;/h3,12H,1-2,4H2;1H
InChIKeyYVWXWOWBRZPBEA-UHFFFAOYSA-N
XLogP1.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 18456518) is 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cl.FC(F)(F)c1ncc2c(n1)CNCC2.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is YVWXWOWBRZPBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3.ClH/c9-8(10,11)7-13-3-5-1-2-12-4-6(5)14-7;/h3,12H,1-2,4H2;1H.
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 239.63 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 18456518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).