2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine

C15H15Cl2NO — CID 91230808

IUPAC2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine
SMILESCOc1ccc(C(C)Cc2ccnc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(7-11-5-6-18-15(17)8-11)13-4-3-12(19-2)9-14(13)16/h3-6,8-10H,7H2,1-2H3
InChIKeyZFMIMHHLAVRVSA-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.74
Rot. Bonds4

About 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine

2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine (PubChem CID 91230808) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine
PubChem CID91230808
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine
SMILESCOc1ccc(C(C)Cc2ccnc(Cl)c2)c(Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-10(7-11-5-6-18-15(17)8-11)13-4-3-12(19-2)9-14(13)16/h3-6,8-10H,7H2,1-2H3
InChIKeyZFMIMHHLAVRVSA-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-bromo-4-methoxyphenoxy)methyl]-2-chloropyridine
CID 104704629
3-(2-chloro-4-methoxyphenyl)-2-(2-chloro-4-pyridinyl)-1,1,1-trifluorobutan-2-ol
CID 57421263
4-[2-(2,4-dichlorophenyl)propyl]-2-phenylmethoxypyridine
CID 68731862
2-chloro-1-[1-chloro-2-(3-methoxyphenyl)ethyl]-4-methoxybenzene
CID 63434678
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
2-chloro-1-(1-chloro-2-phenylethyl)-4-methoxybenzene
CID 63434208
dimethyl 2-[(2-chloro-4-pyridinyl)methyl]propanedioate
CID 103972406
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
2-chloro-1-[1-chloro-2-(3-chlorophenyl)ethyl]-4-methoxybenzene
CID 63434211
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
2-chloro-4-[(3-methoxyphenyl)sulfanylmethyl]pyridine
CID 62046322
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine?
The IUPAC name of 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine (CID 91230808) is 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine.
What is the SMILES notation for 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine?
The canonical SMILES for 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine is COc1ccc(C(C)Cc2ccnc(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine?
The InChIKey is ZFMIMHHLAVRVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-10(7-11-5-6-18-15(17)8-11)13-4-3-12(19-2)9-14(13)16/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine?
2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine has a molecular weight of 296.20 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-chloro-4-methoxyphenyl)propyl]pyridine is sourced from PubChem (CID 91230808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).