3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine

C13H7BrF3N — CID 123543896

IUPAC3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine
SMILESFc1cc(F)c(C=Cc2cncc(Br)c2)cc1F
InChIInChI=1S/C13H7BrF3N/c14-10-3-8(6-18-7-10)1-2-9-4-12(16)13(17)5-11(9)15/h1-7H
InChIKeyFZHALEJWQMEFEX-UHFFFAOYSA-N
MW314.10 g/mol
LogP4.43
Rot. Bonds2

About 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine

3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine (PubChem CID 123543896) has the molecular formula C13H7BrF3N and a molecular weight of 314.10 g/mol. Its IUPAC name is 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine
PubChem CID123543896
Molecular FormulaC13H7BrF3N
Molecular Weight314.10 g/mol
Exact Mass312.97
IUPAC Name3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine
SMILESFc1cc(F)c(C=Cc2cncc(Br)c2)cc1F
InChIInChI=1S/C13H7BrF3N/c14-10-3-8(6-18-7-10)1-2-9-4-12(16)13(17)5-11(9)15/h1-7H
InChIKeyFZHALEJWQMEFEX-UHFFFAOYSA-N
XLogP4.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(2,2-difluoroethenyl)pyridine
CID 169260385
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potassium;5-bromopyridine-3-carbaldehyde;hydroxide
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4-(5-bromo-3-pyridinyl)but-3-enoic acid
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tert-butyl 3-(5-bromo-3-pyridinyl)prop-2-enoate
CID 68608642
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
3-[(amino-methyl-oxo-λ6-sulfanylidene)methyl]-5-bromopyridine
CID 123267119
1-(5-bromo-3-pyridinyl)-N-(2,2-dimethoxyethyl)methanimine
CID 59108622
CID 59369505
CID 59369505
5-bromopyridin-3-ol
CID 599529
1-(5-bromo-3-pyridinyl)-2-(chloromethyl)-7-fluorobenzimidazole
CID 112740785
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 53315540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine?
The IUPAC name of 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine (CID 123543896) is 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine.
What is the SMILES notation for 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine?
The canonical SMILES for 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine is Fc1cc(F)c(C=Cc2cncc(Br)c2)cc1F.
What is the InChIKey of 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine?
The InChIKey is FZHALEJWQMEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N/c14-10-3-8(6-18-7-10)1-2-9-4-12(16)13(17)5-11(9)15/h1-7H.
What are the key properties of 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine?
3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine has a molecular weight of 314.10 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(2,4,5-trifluorophenyl)ethenyl]pyridine is sourced from PubChem (CID 123543896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).