4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine

C14H12BrClFN — CID 66453308

IUPAC4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Br)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12BrClFN/c1-9(10-4-6-18-7-5-10)14(15)12-3-2-11(16)8-13(12)17/h2-9,14H,1H3
InChIKeyZDXSCPAHPVQNNR-UHFFFAOYSA-N
MW328.61 g/mol
LogP5.11
Rot. Bonds3

About 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine

4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine (PubChem CID 66453308) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
PubChem CID66453308
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
SMILESCC(c1ccncc1)C(Br)c1ccc(Cl)cc1F
InChIInChI=1S/C14H12BrClFN/c1-9(10-4-6-18-7-5-10)14(15)12-3-2-11(16)8-13(12)17/h2-9,14H,1H3
InChIKeyZDXSCPAHPVQNNR-UHFFFAOYSA-N
XLogP5.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 55.11
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-(3-chloro-4-fluorophenyl)propan-2-yl]pyridine
CID 82879487
4-[1-bromo-1-(3-fluoro-5-methylphenyl)propan-2-yl]pyridine
CID 113396078
1-(2,4-dichlorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66447752
4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 115370365
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66448703
4-[1-chloro-1-(5-chloro-2-iodophenyl)propan-2-yl]pyridine
CID 114029831
4-(1-bromo-1-phenylpropan-2-yl)pyridine
CID 66452433
4-[1-bromo-1-(3-bromophenyl)propan-2-yl]pyridine
CID 66453944
1-[bromo-(4-methylphenyl)methyl]-4-chloro-2-fluorobenzene
CID 63437001
4-(1-bromo-1-naphthalen-1-ylpropan-2-yl)pyridine
CID 66455036

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine (CID 66453308) is 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine is CC(c1ccncc1)C(Br)c1ccc(Cl)cc1F.
What is the InChIKey of 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine?
The InChIKey is ZDXSCPAHPVQNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-9(10-4-6-18-7-5-10)14(15)12-3-2-11(16)8-13(12)17/h2-9,14H,1H3.
What are the key properties of 4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine?
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine has a molecular weight of 328.61 g/mol, XLogP of 5.11, 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-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66453308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).