3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine

C16H17Cl2NO — CID 138516734

IUPAC3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine
SMILESCOc1ccc(Cl)cc1C(C)Cc1ncc(C)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-6-14(18)15(19-9-10)7-11(2)13-8-12(17)4-5-16(13)20-3/h4-6,8-9,11H,7H2,1-3H3
InChIKeySUDYPSZNAGJHIF-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.05
Rot. Bonds4

About 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine

3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine (PubChem CID 138516734) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine.

Molecular Properties

Compound Name3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine
PubChem CID138516734
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine
SMILESCOc1ccc(Cl)cc1C(C)Cc1ncc(C)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-10-6-14(18)15(19-9-10)7-11(2)13-8-12(17)4-5-16(13)20-3/h4-6,8-9,11H,7H2,1-3H3
InChIKeySUDYPSZNAGJHIF-UHFFFAOYSA-N
XLogP5.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine?
The IUPAC name of 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine (CID 138516734) is 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine.
What is the SMILES notation for 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine?
The canonical SMILES for 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine is COc1ccc(Cl)cc1C(C)Cc1ncc(C)cc1Cl.
What is the InChIKey of 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine?
The InChIKey is SUDYPSZNAGJHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-6-14(18)15(19-9-10)7-11(2)13-8-12(17)4-5-16(13)20-3/h4-6,8-9,11H,7H2,1-3H3.
What are the key properties of 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine?
3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine has a molecular weight of 310.22 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(5-chloro-2-methoxyphenyl)propyl]-5-methylpyridine is sourced from PubChem (CID 138516734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).