4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine

C15H10F3N3 — CID 123222423

IUPAC4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine
SMILESFc1cc(F)c(F)c(-c2ncccc2C2=NCN=CC2)c1
InChIInChI=1S/C15H10F3N3/c16-9-6-11(14(18)12(17)7-9)15-10(2-1-4-20-15)13-3-5-19-8-21-13/h1-2,4-7H,3,8H2
InChIKeyREAWANGODMXKLX-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.39
Rot. Bonds2

About 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine

4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine (PubChem CID 123222423) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine.

Molecular Properties

Compound Name4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine
PubChem CID123222423
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine
SMILESFc1cc(F)c(F)c(-c2ncccc2C2=NCN=CC2)c1
InChIInChI=1S/C15H10F3N3/c16-9-6-11(14(18)12(17)7-9)15-10(2-1-4-20-15)13-3-5-19-8-21-13/h1-2,4-7H,3,8H2
InChIKeyREAWANGODMXKLX-UHFFFAOYSA-N
XLogP3.39
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 118437879
1,2,4-trifluoro-3-[2-(2,3,5-trifluorophenyl)phenyl]benzene
CID 161120611
2-(2,4-difluorophenyl)-3-fluoropyridine
CID 102309458
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168821667
8-(2,3,5-trifluorophenyl)cinnoline
CID 175737885
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121349974
2-(3,5-difluoro-2-pyridinyl)pyridin-3-ol
CID 140696125
[2-(2,3,5-trifluorophenyl)phenyl]azanium
CID 22348855
2-(2,4-difluorophenyl)-3-propan-2-ylpyridine
CID 58439278
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
5-(2,3-difluorophenyl)-1,6-naphthyridine
CID 163316334

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine?
The IUPAC name of 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine (CID 123222423) is 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine.
What is the SMILES notation for 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine?
The canonical SMILES for 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine is Fc1cc(F)c(F)c(-c2ncccc2C2=NCN=CC2)c1.
What is the InChIKey of 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine?
The InChIKey is REAWANGODMXKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-9-6-11(14(18)12(17)7-9)15-10(2-1-4-20-15)13-3-5-19-8-21-13/h1-2,4-7H,3,8H2.
What are the key properties of 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine?
4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine has a molecular weight of 289.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine is sourced from PubChem (CID 123222423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).