2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine

C14H13BrClN — CID 66453993

IUPAC2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1ccccc1Cl
InChIInChI=1S/C14H13BrClN/c1-10(13-8-4-5-9-17-13)14(15)11-6-2-3-7-12(11)16/h2-10,14H,1H3
InChIKeyKKGDAFKRCNEMSZ-UHFFFAOYSA-N
MW310.62 g/mol
LogP4.97
Rot. Bonds3

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

2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine (PubChem CID 66453993) has the molecular formula C14H13BrClN and a molecular weight of 310.62 g/mol. Its IUPAC name is 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
PubChem CID66453993
Molecular FormulaC14H13BrClN
Molecular Weight310.62 g/mol
Exact Mass308.99
IUPAC Name2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1ccccc1Cl
InChIInChI=1S/C14H13BrClN/c1-10(13-8-4-5-9-17-13)14(15)11-6-2-3-7-12(11)16/h2-10,14H,1H3
InChIKeyKKGDAFKRCNEMSZ-UHFFFAOYSA-N
XLogP4.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 54.97
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-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-(2-chloro-6-fluorophenyl)propan-2-yl]pyridine
CID 66454214
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
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-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66453990
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-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 113296265
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine (CID 66453993) is 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1ccccc1Cl.
What is the InChIKey of 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine?
The InChIKey is KKGDAFKRCNEMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN/c1-10(13-8-4-5-9-17-13)14(15)11-6-2-3-7-12(11)16/h2-10,14H,1H3.
What are the key properties of 2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine?
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine has a molecular weight of 310.62 g/mol, XLogP of 4.97, 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-chlorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66453993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).