3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine

C13H11BrFN — CID 176734492

IUPAC3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine
SMILESCCc1cccc(-c2ccncc2Br)c1F
InChIInChI=1S/C13H11BrFN/c1-2-9-4-3-5-11(13(9)15)10-6-7-16-8-12(10)14/h3-8H,2H2,1H3
InChIKeyDQMRJJVJLAZJTJ-UHFFFAOYSA-N
MW280.14 g/mol
LogP4.21
Rot. Bonds2

About 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine

3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine (PubChem CID 176734492) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine
PubChem CID176734492
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC Name3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine
SMILESCCc1cccc(-c2ccncc2Br)c1F
InChIInChI=1S/C13H11BrFN/c1-2-9-4-3-5-11(13(9)15)10-6-7-16-8-12(10)14/h3-8H,2H2,1H3
InChIKeyDQMRJJVJLAZJTJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-ethyl-2-fluorophenyl)pyrimidine
CID 126670993
3-bromo-4-ethylpyridine
CID 13160533
3-bromo-N-(2,6-diethylphenyl)pyridin-4-amine
CID 113452139
6-ethyl-5-fluoroisoquinoline
CID 67950448
4-(3-bromophenyl)-3-ethylpyridine
CID 118884339
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
CID 118336787
4-(2,3-difluorophenyl)-3-fluoropyridine
CID 118801718
4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde
CID 176581986
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
3-bromo-4-fluoropyridine;ethane
CID 144770242
2-(3-bromo-2-fluorophenyl)acetic acid
CID 26985260

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine?
The IUPAC name of 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine (CID 176734492) is 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine.
What is the SMILES notation for 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine?
The canonical SMILES for 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine is CCc1cccc(-c2ccncc2Br)c1F.
What is the InChIKey of 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine?
The InChIKey is DQMRJJVJLAZJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c1-2-9-4-3-5-11(13(9)15)10-6-7-16-8-12(10)14/h3-8H,2H2,1H3.
What are the key properties of 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine?
3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine has a molecular weight of 280.14 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine is sourced from PubChem (CID 176734492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).