3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine

C14H12BrClFN — CID 113456105

IUPAC3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
SMILESFc1ccc(C(CCl)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H12BrClFN/c15-13-6-10(8-18-9-13)5-12(7-16)11-1-3-14(17)4-2-11/h1-4,6,8-9,12H,5,7H2
InChIKeyNUMBTWFXLJOPLL-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.55
Rot. Bonds4

About 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine

3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine (PubChem CID 113456105) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
PubChem CID113456105
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine
SMILESFc1ccc(C(CCl)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H12BrClFN/c15-13-6-10(8-18-9-13)5-12(7-16)11-1-3-14(17)4-2-11/h1-4,6,8-9,12H,5,7H2
InChIKeyNUMBTWFXLJOPLL-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.55
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

3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 104810803
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
2-(5-bromo-3-pyridinyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995163
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 104810835
4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
CID 79437493
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 104802830
(5-bromo-3-pyridinyl)-(4-fluorophenyl)methanol
CID 112732851
2-(5-bromo-3-pyridinyl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103216227

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine?
The IUPAC name of 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine (CID 113456105) is 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine.
What is the SMILES notation for 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine?
The canonical SMILES for 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine is Fc1ccc(C(CCl)Cc2cncc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine?
The InChIKey is NUMBTWFXLJOPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c15-13-6-10(8-18-9-13)5-12(7-16)11-1-3-14(17)4-2-11/h1-4,6,8-9,12H,5,7H2.
What are the key properties of 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine?
3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine has a molecular weight of 328.61 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-chloro-2-(4-fluorophenyl)propyl]pyridine is sourced from PubChem (CID 113456105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).