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

C14H11BrF3N3 — CID 114737933

IUPAC2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(-c2ccc(Br)cc2)nc2c1CNCC2
InChIInChI=1S/C14H11BrF3N3/c15-9-3-1-8(2-4-9)13-20-11-5-6-19-7-10(11)12(21-13)14(16,17)18/h1-4,19H,5-7H2
InChIKeyLPAOSZWDICZQRW-UHFFFAOYSA-N
MW358.16 g/mol
LogP3.57
Rot. Bonds1

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

2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114737933) has the molecular formula C14H11BrF3N3 and a molecular weight of 358.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114737933
Molecular FormulaC14H11BrF3N3
Molecular Weight358.16 g/mol
Exact Mass357.01
IUPAC Name2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFC(F)(F)c1nc(-c2ccc(Br)cc2)nc2c1CNCC2
InChIInChI=1S/C14H11BrF3N3/c15-9-3-1-8(2-4-9)13-20-11-5-6-19-7-10(11)12(21-13)14(16,17)18/h1-4,19H,5-7H2
InChIKeyLPAOSZWDICZQRW-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114737933) is 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is FC(F)(F)c1nc(-c2ccc(Br)cc2)nc2c1CNCC2.
What is the InChIKey of 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LPAOSZWDICZQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N3/c15-9-3-1-8(2-4-9)13-20-11-5-6-19-7-10(11)12(21-13)14(16,17)18/h1-4,19H,5-7H2.
What are the key properties of 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 358.16 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114737933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).