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

C13H10F3N3 — CID 81223655

IUPAC4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFc1ccc(-c2ncnc3c2CNCC3)c(F)c1F
InChIInChI=1S/C13H10F3N3/c14-9-2-1-7(11(15)12(9)16)13-8-5-17-4-3-10(8)18-6-19-13/h1-2,6,17H,3-5H2
InChIKeyIWMOEVWMHMHLAV-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.21
Rot. Bonds1

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

4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 81223655) has the molecular formula C13H10F3N3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID81223655
Molecular FormulaC13H10F3N3
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Name4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESFc1ccc(-c2ncnc3c2CNCC3)c(F)c1F
InChIInChI=1S/C13H10F3N3/c14-9-2-1-7(11(15)12(9)16)13-8-5-17-4-3-10(8)18-6-19-13/h1-2,6,17H,3-5H2
InChIKeyIWMOEVWMHMHLAV-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 81223655) is 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Fc1ccc(-c2ncnc3c2CNCC3)c(F)c1F.
What is the InChIKey of 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is IWMOEVWMHMHLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3/c14-9-2-1-7(11(15)12(9)16)13-8-5-17-4-3-10(8)18-6-19-13/h1-2,6,17H,3-5H2.
What are the key properties of 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 265.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trifluorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 81223655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).