2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride

C10H7Cl2F3N2 — CID 139780205

IUPAC2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride
SMILESCl.Cl.Fc1cc(F)c(-c2ncccn2)cc1F
InChIInChI=1S/C10H5F3N2.2ClH/c11-7-5-9(13)8(12)4-6(7)10-14-2-1-3-15-10;;/h1-5H;2*1H
InChIKeyMPOCVKFSSUEGED-UHFFFAOYSA-N
MW283.08 g/mol
LogP3.40
Rot. Bonds1

About 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride

2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride (PubChem CID 139780205) has the molecular formula C10H7Cl2F3N2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride
PubChem CID139780205
Molecular FormulaC10H7Cl2F3N2
Molecular Weight283.08 g/mol
Exact Mass281.99
IUPAC Name2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride
SMILESCl.Cl.Fc1cc(F)c(-c2ncccn2)cc1F
InChIInChI=1S/C10H5F3N2.2ClH/c11-7-5-9(13)8(12)4-6(7)10-14-2-1-3-15-10;;/h1-5H;2*1H
InChIKeyMPOCVKFSSUEGED-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-2-pyrimidin-2-ylbenzoic acid
CID 134279149
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561
3-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 115503110
2-(2,3-difluorophenyl)pyrimidine
CID 22717518
2-(2-fluoro-4-octylphenyl)pyrimidine
CID 57127458
2-(4-bromo-2-fluorophenyl)pyrimidine;2-(2-fluoro-4-piperazin-1-ylphenyl)pyrimidine;piperazine
CID 159739671
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455
2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
CID 169050093
1,2,4,5-tetrafluorobenzene;zinc
CID 174910497
2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine
CID 102082127
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
2-(4,5-difluoro-2-methylphenyl)pyridine;ethane
CID 145481986

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride?
The IUPAC name of 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride (CID 139780205) is 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride.
What is the SMILES notation for 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride?
The canonical SMILES for 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride is Cl.Cl.Fc1cc(F)c(-c2ncccn2)cc1F.
What is the InChIKey of 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride?
The InChIKey is MPOCVKFSSUEGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2.2ClH/c11-7-5-9(13)8(12)4-6(7)10-14-2-1-3-15-10;;/h1-5H;2*1H.
What are the key properties of 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride?
2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride has a molecular weight of 283.08 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride is sourced from PubChem (CID 139780205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).