4-chloro-3-(3-methoxypropoxy)-2-methylpyridine

C10H14ClNO2 — CID 19926464

IUPAC4-chloro-3-(3-methoxypropoxy)-2-methylpyridine
SMILESCOCCCOc1c(Cl)ccnc1C
InChIInChI=1S/C10H14ClNO2/c1-8-10(9(11)4-5-12-8)14-7-3-6-13-2/h4-5H,3,6-7H2,1-2H3
InChIKeyADIOYWSJSPNUDX-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.46
Rot. Bonds5

About 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine

4-chloro-3-(3-methoxypropoxy)-2-methylpyridine (PubChem CID 19926464) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine.

Molecular Properties

Compound Name4-chloro-3-(3-methoxypropoxy)-2-methylpyridine
PubChem CID19926464
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-chloro-3-(3-methoxypropoxy)-2-methylpyridine
SMILESCOCCCOc1c(Cl)ccnc1C
InChIInChI=1S/C10H14ClNO2/c1-8-10(9(11)4-5-12-8)14-7-3-6-13-2/h4-5H,3,6-7H2,1-2H3
InChIKeyADIOYWSJSPNUDX-UHFFFAOYSA-N
XLogP2.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine?
The IUPAC name of 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine (CID 19926464) is 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine.
What is the SMILES notation for 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine?
The canonical SMILES for 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine is COCCCOc1c(Cl)ccnc1C.
What is the InChIKey of 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine?
The InChIKey is ADIOYWSJSPNUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-8-10(9(11)4-5-12-8)14-7-3-6-13-2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine?
4-chloro-3-(3-methoxypropoxy)-2-methylpyridine has a molecular weight of 215.68 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-methoxypropoxy)-2-methylpyridine is sourced from PubChem (CID 19926464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).