3-bromo-2-fluoro-6-propan-2-ylpyridine

C8H9BrFN — CID 130138752

IUPAC3-bromo-2-fluoro-6-propan-2-ylpyridine
SMILESCC(C)c1ccc(Br)c(F)n1
InChIInChI=1S/C8H9BrFN/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,1-2H3
InChIKeySCBHXSFHDABMDT-UHFFFAOYSA-N
MW218.07 g/mol
LogP3.11
Rot. Bonds1

About 3-bromo-2-fluoro-6-propan-2-ylpyridine

3-bromo-2-fluoro-6-propan-2-ylpyridine (PubChem CID 130138752) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 3-bromo-2-fluoro-6-propan-2-ylpyridine.

Molecular Properties

Compound Name3-bromo-2-fluoro-6-propan-2-ylpyridine
PubChem CID130138752
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name3-bromo-2-fluoro-6-propan-2-ylpyridine
SMILESCC(C)c1ccc(Br)c(F)n1
InChIInChI=1S/C8H9BrFN/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,1-2H3
InChIKeySCBHXSFHDABMDT-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-3-methyl-6-propan-2-ylpyridine
CID 153298968
2,3-difluoro-5-propan-2-ylpyrazine
CID 163298620
4-bromo-5-fluoro-2-propan-2-ylpyridine
CID 130153353
3-bromo-5-propan-2-yl-1,2,4-triazine
CID 105454049
3-bromo-2-methyl-5-propan-2-ylpyrazine
CID 118329292
2-bromo-6-propan-2-ylpyridine-3-carboxylic acid
CID 84704265
(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 107629164
3-(difluoromethyl)-6-propan-2-ylpyridin-2-amine
CID 169118624
2-methyl-3,6-di(propan-2-yl)pyridine
CID 20738069
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
2,5-di(propan-2-yl)pyrido[2,3-d]pyridazine
CID 59224821
2-chloro-3-(difluoromethyl)-6-propan-2-ylpyridine
CID 105458279

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-6-propan-2-ylpyridine?
The IUPAC name of 3-bromo-2-fluoro-6-propan-2-ylpyridine (CID 130138752) is 3-bromo-2-fluoro-6-propan-2-ylpyridine.
What is the SMILES notation for 3-bromo-2-fluoro-6-propan-2-ylpyridine?
The canonical SMILES for 3-bromo-2-fluoro-6-propan-2-ylpyridine is CC(C)c1ccc(Br)c(F)n1.
What is the InChIKey of 3-bromo-2-fluoro-6-propan-2-ylpyridine?
The InChIKey is SCBHXSFHDABMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,1-2H3.
What are the key properties of 3-bromo-2-fluoro-6-propan-2-ylpyridine?
3-bromo-2-fluoro-6-propan-2-ylpyridine has a molecular weight of 218.07 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-6-propan-2-ylpyridine is sourced from PubChem (CID 130138752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).