2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine

C10H4BrF6IN4 — CID 161158495

IUPAC2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Br)n1.FC(F)(F)c1ccnc(I)n1
InChIInChI=1S/C5H2BrF3N2.C5H2F3IN2/c6-4-10-2-1-3(11-4)5(7,8)9;6-5(7,8)3-1-2-10-4(9)11-3/h2*1-2H
InChIKeyUPPOWVLTMQVHFW-UHFFFAOYSA-N
MW500.97 g/mol
LogP4.36
Rot. Bonds

About 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine

2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine (PubChem CID 161158495) has the molecular formula C10H4BrF6IN4 and a molecular weight of 500.97 g/mol. Its IUPAC name is 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine
PubChem CID161158495
Molecular FormulaC10H4BrF6IN4
Molecular Weight500.97 g/mol
Exact Mass499.86
IUPAC Name2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(Br)n1.FC(F)(F)c1ccnc(I)n1
InChIInChI=1S/C5H2BrF3N2.C5H2F3IN2/c6-4-10-2-1-3(11-4)5(7,8)9;6-5(7,8)3-1-2-10-4(9)11-3/h2*1-2H
InChIKeyUPPOWVLTMQVHFW-UHFFFAOYSA-N
XLogP4.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.97
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)pyrimidin-2-olate
CID 42553718
N,N-dimethyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 10750222
acetylene;4-(trifluoromethyl)pyrimidin-2-amine
CID 142135177
2-pyrimidin-2-yloxy-4-(trifluoromethyl)pyrimidine
CID 172690256
2-[(5-bromo-2-fluorophenyl)methylsulfanyl]-4-(trifluoromethyl)pyrimidine
CID 60593655
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
4-[4-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 63319084
lithium 4-(trifluoromethyl)pyrimidine-2-carboxylate
CID 146155155
4-bromo-2-(trifluoromethyl)pyrimidine
CID 53302344
trimethyl-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]silane
CID 171323949
4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine
CID 147860136

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine (CID 161158495) is 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(Br)n1.FC(F)(F)c1ccnc(I)n1.
What is the InChIKey of 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine?
The InChIKey is UPPOWVLTMQVHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrF3N2.C5H2F3IN2/c6-4-10-2-1-3(11-4)5(7,8)9;6-5(7,8)3-1-2-10-4(9)11-3/h2*1-2H.
What are the key properties of 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine?
2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine has a molecular weight of 500.97 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(trifluoromethyl)pyrimidine;2-iodo-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 161158495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).