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

C8H8Cl2F3N3 — CID 66524813

IUPAC4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C8H7ClF3N3.ClH/c9-6-4-1-2-13-3-5(4)14-7(15-6)8(10,11)12;/h13H,1-3H2;1H
InChIKeyOFLJWZMBRNKVNB-UHFFFAOYSA-N
MW274.07 g/mol
LogP2.22
Rot. Bonds

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

4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 66524813) has the molecular formula C8H8Cl2F3N3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID66524813
Molecular FormulaC8H8Cl2F3N3
Molecular Weight274.07 g/mol
Exact Mass273.00
IUPAC Name4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nc(Cl)c2c(n1)CNCC2
InChIInChI=1S/C8H7ClF3N3.ClH/c9-6-4-1-2-13-3-5(4)14-7(15-6)8(10,11)12;/h13H,1-3H2;1H
InChIKeyOFLJWZMBRNKVNB-UHFFFAOYSA-N
XLogP2.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 66524813) is 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is OFLJWZMBRNKVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3.ClH/c9-6-4-1-2-13-3-5(4)14-7(15-6)8(10,11)12;/h13H,1-3H2;1H.
What are the key properties of 4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
4-chloro-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 274.07 g/mol, XLogP of 2.22, 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;hydrochloride is sourced from PubChem (CID 66524813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).