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

C15H15Cl2NO — CID 66461765

IUPAC4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cc(Cl)ccc1C(Cl)C(C)c1ccncc1
InChIInChI=1S/C15H15Cl2NO/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,1-2H3
InChIKeyUWGSWCHCXHMDNS-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.83
Rot. Bonds4

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

4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine (PubChem CID 66461765) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
PubChem CID66461765
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
SMILESCOc1cc(Cl)ccc1C(Cl)C(C)c1ccncc1
InChIInChI=1S/C15H15Cl2NO/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,1-2H3
InChIKeyUWGSWCHCXHMDNS-UHFFFAOYSA-N
XLogP4.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.83
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-(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-chloro-1-(2,3-dimethoxyphenyl)propan-2-yl]pyridine
CID 66460366
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
4-[1-(3-bromo-4-methoxyphenyl)-1-chloropropan-2-yl]pyridine
CID 66459760
4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 115370365
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
CID 66453308
4-[1-chloro-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66458948
1-(2,4-dichlorophenyl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66447752
1-(4-chloro-2-methoxyphenyl)-N,2-dimethylpropan-1-amine
CID 114978300
4-chloro-1-[chloro-(4-propan-2-yloxyphenyl)methyl]-2-methoxybenzene
CID 63432686

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
The IUPAC name of 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine (CID 66461765) is 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine.
What is the SMILES notation for 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
The canonical SMILES for 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine is COc1cc(Cl)ccc1C(Cl)C(C)c1ccncc1.
What is the InChIKey of 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
The InChIKey is UWGSWCHCXHMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,1-2H3.
What are the key properties of 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine?
4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine has a molecular weight of 296.20 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine is sourced from PubChem (CID 66461765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).