3-bromo-4-fluoropyridine;ethane

C7H9BrFN — CID 144770242

IUPAC3-bromo-4-fluoropyridine;ethane
SMILESCC.Fc1ccncc1Br
InChIInChI=1S/C5H3BrFN.C2H6/c6-4-3-8-2-1-5(4)7;1-2/h1-3H;1-2H3
InChIKeyLJDDURICAZXAAU-UHFFFAOYSA-N
MW206.06 g/mol
LogP3.01
Rot. Bonds

About 3-bromo-4-fluoropyridine;ethane

3-bromo-4-fluoropyridine;ethane (PubChem CID 144770242) has the molecular formula C7H9BrFN and a molecular weight of 206.06 g/mol. Its IUPAC name is 3-bromo-4-fluoropyridine;ethane.

Molecular Properties

Compound Name3-bromo-4-fluoropyridine;ethane
PubChem CID144770242
Molecular FormulaC7H9BrFN
Molecular Weight206.06 g/mol
Exact Mass204.99
IUPAC Name3-bromo-4-fluoropyridine;ethane
SMILESCC.Fc1ccncc1Br
InChIInChI=1S/C5H3BrFN.C2H6/c6-4-3-8-2-1-5(4)7;1-2/h1-3H;1-2H3
InChIKeyLJDDURICAZXAAU-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.06
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-methylpyridine;ethane
CID 143472846
4-bromo-3-(1,1-difluoroethyl)pyridine
CID 131700018
3-bromo-4-(3-bromo-4-fluorophenoxy)pyridine
CID 104776674
3-bromo-4-ethylpyridine
CID 13160533
3-bromo-N-(2,5-difluoro-4-methylphenyl)pyridin-4-amine
CID 103587184
3-bromo-N-(5-bromo-2,4-difluorophenyl)pyridin-4-amine
CID 102854834
1-bromo-2-fluorobenzene;ethane
CID 91109851
4-fluoropyridin-3-ol;hydrochloride
CID 86717938
3-bromo-4-(4-bromo-3-fluorophenoxy)pyridine
CID 104776669
3-bromopyridin-4-amine;prop-1-ene
CID 67817443
trifluoro-(4-fluoro-3-pyridinyl)boranuide
CID 133056871
3-bromo-N-(3,5-difluorophenyl)pyridin-4-amine
CID 104777967

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoropyridine;ethane?
The IUPAC name of 3-bromo-4-fluoropyridine;ethane (CID 144770242) is 3-bromo-4-fluoropyridine;ethane.
What is the SMILES notation for 3-bromo-4-fluoropyridine;ethane?
The canonical SMILES for 3-bromo-4-fluoropyridine;ethane is CC.Fc1ccncc1Br.
What is the InChIKey of 3-bromo-4-fluoropyridine;ethane?
The InChIKey is LJDDURICAZXAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrFN.C2H6/c6-4-3-8-2-1-5(4)7;1-2/h1-3H;1-2H3.
What are the key properties of 3-bromo-4-fluoropyridine;ethane?
3-bromo-4-fluoropyridine;ethane has a molecular weight of 206.06 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoropyridine;ethane is sourced from PubChem (CID 144770242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).