2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine

C14H12BrCl2N — CID 66454208

IUPAC2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12BrCl2N/c1-9(12-7-2-3-8-18-12)13(15)10-5-4-6-11(16)14(10)17/h2-9,13H,1H3
InChIKeyGIHSTTJJRKMCKX-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.63
Rot. Bonds3

About 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine

2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine (PubChem CID 66454208) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
PubChem CID66454208
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H12BrCl2N/c1-9(12-7-2-3-8-18-12)13(15)10-5-4-6-11(16)14(10)17/h2-9,13H,1H3
InChIKeyGIHSTTJJRKMCKX-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.63
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-chlorophenyl)propan-2-yl]pyridine
CID 66453993
1-(2,3-dichlorophenyl)-2-pyridin-2-ylpropan-1-ol
CID 66459713
2-[1-chloro-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66461007
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
(2,3-dichlorophenyl)-pyridin-2-ylmethanol
CID 62791139
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
2-[1-bromo-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine (CID 66454208) is 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine?
The InChIKey is GIHSTTJJRKMCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-9(12-7-2-3-8-18-12)13(15)10-5-4-6-11(16)14(10)17/h2-9,13H,1H3.
What are the key properties of 2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine has a molecular weight of 345.07 g/mol, XLogP of 5.63, 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-(2,3-dichlorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66454208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).