2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine

C14H12Br2FN — CID 114561364

IUPAC2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1c(F)cccc1Br
InChIInChI=1S/C14H12Br2FN/c1-9(12-7-2-3-8-18-12)14(16)13-10(15)5-4-6-11(13)17/h2-9,14H,1H3
InChIKeyJHTVTARXPXORIK-UHFFFAOYSA-N
MW373.06 g/mol
LogP5.22
Rot. Bonds3

About 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine (PubChem CID 114561364) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
PubChem CID114561364
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1c(F)cccc1Br
InChIInChI=1S/C14H12Br2FN/c1-9(12-7-2-3-8-18-12)14(16)13-10(15)5-4-6-11(13)17/h2-9,14H,1H3
InChIKeyJHTVTARXPXORIK-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.06
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
2-[1-bromo-1-(4,5-dibromothiophen-2-yl)propan-2-yl]pyridine
CID 80538097
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
CID 66454217
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706
2-[1-chloro-1-(2,4,6-trifluorophenyl)propan-2-yl]pyridine
CID 66460615
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
1-(2-bromo-5-fluorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459103

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine (CID 114561364) is 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1c(F)cccc1Br.
What is the InChIKey of 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine?
The InChIKey is JHTVTARXPXORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c1-9(12-7-2-3-8-18-12)14(16)13-10(15)5-4-6-11(13)17/h2-9,14H,1H3.
What are the key properties of 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine has a molecular weight of 373.06 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 114561364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).