3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine

C15H15Cl2N — CID 79437272

IUPAC3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
SMILESCc1ccc(C(CCl)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H15Cl2N/c1-11-2-4-12(5-3-11)14(9-16)8-13-6-7-18-10-15(13)17/h2-7,10,14H,8-9H2,1H3
InChIKeyDBHZOEXDYIWTPQ-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.61
Rot. Bonds4

About 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine

3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine (PubChem CID 79437272) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
PubChem CID79437272
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine
SMILESCc1ccc(C(CCl)Cc2ccncc2Cl)cc1
InChIInChI=1S/C15H15Cl2N/c1-11-2-4-12(5-3-11)14(9-16)8-13-6-7-18-10-15(13)17/h2-7,10,14H,8-9H2,1H3
InChIKeyDBHZOEXDYIWTPQ-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.61
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-chloro-4-[2-(chloromethyl)-3-(4-methylphenyl)propyl]pyridine
CID 66034144
(1S)-N-[(3-chloro-4-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355702
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117
3-chloro-4-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]pyridine
CID 112655916
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
1-[3-chloro-2-(4-methylphenyl)propyl]-4-propan-2-ylbenzene
CID 79436182
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
3-chloro-4-[2-chloro-2-(4-ethoxyphenyl)ethyl]pyridine
CID 112655944
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
4-[2-(3-bromo-5-methylphenyl)-2-chloroethyl]-3-chloropyridine
CID 113461118
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425
[1-(4-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethyl]hydrazine
CID 105314719

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine?
The IUPAC name of 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine (CID 79437272) is 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine.
What is the SMILES notation for 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine?
The canonical SMILES for 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine is Cc1ccc(C(CCl)Cc2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine?
The InChIKey is DBHZOEXDYIWTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-11-2-4-12(5-3-11)14(9-16)8-13-6-7-18-10-15(13)17/h2-7,10,14H,8-9H2,1H3.
What are the key properties of 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine?
3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine has a molecular weight of 280.20 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-chloro-2-(4-methylphenyl)propyl]pyridine is sourced from PubChem (CID 79437272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).