4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine

C15H15BrClNO — CID 66459760

IUPAC4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
SMILESCOc1ccc(C(Cl)C(C)c2ccncc2)cc1Br
InChIInChI=1S/C15H15BrClNO/c1-10(11-5-7-18-8-6-11)15(17)12-3-4-14(19-2)13(16)9-12/h3-10,15H,1-2H3
InChIKeyKXOJIIKDPUJCKB-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.94
Rot. Bonds4

About 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine

4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine (PubChem CID 66459760) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
PubChem CID66459760
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
SMILESCOc1ccc(C(Cl)C(C)c2ccncc2)cc1Br
InChIInChI=1S/C15H15BrClNO/c1-10(11-5-7-18-8-6-11)15(17)12-3-4-14(19-2)13(16)9-12/h3-10,15H,1-2H3
InChIKeyKXOJIIKDPUJCKB-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-pyridin-4-ylpropan-1-amine
CID 66446581
4-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]pyridine
CID 66455485
N-[(3-bromo-4-methoxyphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43487751
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
4-[1-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
CID 66460366
2-bromo-4-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-methoxybenzene
CID 63434744
(1S,2S)-1-(3-bromo-4-methoxyphenyl)propane-1,2-diamine
CID 131002328
4-[1-(1,3-benzodioxol-5-yl)-1-chloropropan-2-yl]pyridine
CID 66461171
bromo-(3-bromo-4-methoxyphenyl)methanamine
CID 116947586
2-bromo-5-[1-(3,4-dimethoxyphenyl)-2-pyridin-4-ylpropyl]pyridine;ethane
CID 91505346
1-(3-bromo-4-methoxyphenyl)ethylhydrazine
CID 82478801
1-(3-bromo-4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407566

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine?
The IUPAC name of 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine (CID 66459760) is 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine.
What is the SMILES notation for 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine?
The canonical SMILES for 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine is COc1ccc(C(Cl)C(C)c2ccncc2)cc1Br.
What is the InChIKey of 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine?
The InChIKey is KXOJIIKDPUJCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(11-5-7-18-8-6-11)15(17)12-3-4-14(19-2)13(16)9-12/h3-10,15H,1-2H3.
What are the key properties of 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine?
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine has a molecular weight of 340.65 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine is sourced from PubChem (CID 66459760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).