4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine

C14H13Br2N — CID 66453944

IUPAC4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Br)c1cccc(Br)c1
InChIInChI=1S/C14H13Br2N/c1-10(11-5-7-17-8-6-11)14(16)12-3-2-4-13(15)9-12/h2-10,14H,1H3
InChIKeyXLFFNXVCVYXVIU-UHFFFAOYSA-N
MW355.07 g/mol
LogP5.08
Rot. Bonds3

About 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine

4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine (PubChem CID 66453944) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
PubChem CID66453944
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Br)c1cccc(Br)c1
InChIInChI=1S/C14H13Br2N/c1-10(11-5-7-17-8-6-11)14(16)12-3-2-4-13(15)9-12/h2-10,14H,1H3
InChIKeyXLFFNXVCVYXVIU-UHFFFAOYSA-N
XLogP5.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.07
LogP ≤ 55.08
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

4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-[1-bromo-1-(3-bromo-4-methylphenyl)propan-2-yl]pyridine
CID 81488562
4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 115370365
4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
CID 66455036
1-bromo-3-(1-chloro-2-phenylpropyl)benzene
CID 91188236
N-[(3-bromophenyl)-pyridin-4-ylmethyl]methanethioamide
CID 143594428
4-[bromo(phenyl)methyl]pyridine
CID 43608201
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
1-bromo-3-(1-fluoroethyl)benzene;ethane
CID 143612621
1-(3-bromophenyl)ethanamine;ethane
CID 142874111
1-(3-bromo-5-methylphenyl)-2-pyridin-4-ylpropan-1-amine
CID 113460863
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine (CID 66453944) is 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine is CC(c1ccncc1)C(Br)c1cccc(Br)c1.
What is the InChIKey of 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine?
The InChIKey is XLFFNXVCVYXVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-10(11-5-7-17-8-6-11)14(16)12-3-2-4-13(15)9-12/h2-10,14H,1H3.
What are the key properties of 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine?
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine has a molecular weight of 355.07 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66453944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).