3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine

C7H6BrF2N — CID 168937466

IUPAC3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine
SMILESCC(F)c1c(F)cncc1Br
InChIInChI=1S/C7H6BrF2N/c1-4(9)7-5(8)2-11-3-6(7)10/h2-4H,1H3
InChIKeyOLSXYXMJOOHDCV-UHFFFAOYSA-N
MW222.03 g/mol
LogP3.01
Rot. Bonds1

About 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine

3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine (PubChem CID 168937466) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine
PubChem CID168937466
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine
SMILESCC(F)c1c(F)cncc1Br
InChIInChI=1S/C7H6BrF2N/c1-4(9)7-5(8)2-11-3-6(7)10/h2-4H,1H3
InChIKeyOLSXYXMJOOHDCV-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-(1-fluoroethyl)pyridin-3-amine
CID 142503258
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
1-[5-bromo-4-(difluoromethyl)-3-pyridinyl]ethanamine
CID 131128339
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
3-(bromomethyl)-4-(difluoromethyl)-5-fluoropyridine
CID 130096320
(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol
CID 54592858
(S)-(3-bromo-5-fluoro-4-pyridinyl)-cyclohexylmethanol
CID 52908319
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
[5-bromo-4-(difluoromethyl)-3-pyridinyl]methanol
CID 130095199
5-bromo-4-(1-fluoro-2-methylprop-2-enyl)pyridin-3-amine
CID 142503067
5-bromo-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130109359
3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol
CID 164650622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine?
The IUPAC name of 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine (CID 168937466) is 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine.
What is the SMILES notation for 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine?
The canonical SMILES for 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine is CC(F)c1c(F)cncc1Br.
What is the InChIKey of 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine?
The InChIKey is OLSXYXMJOOHDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-4(9)7-5(8)2-11-3-6(7)10/h2-4H,1H3.
What are the key properties of 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine?
3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine has a molecular weight of 222.03 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-4-(1-fluoroethyl)pyridine is sourced from PubChem (CID 168937466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).