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

C10H14ClNO2 — CID 141469218

IUPAC2-chloro-4-(3-methoxypropoxy)-3-methylpyridine
SMILESCOCCCOc1ccnc(Cl)c1C
InChIInChI=1S/C10H14ClNO2/c1-8-9(4-5-12-10(8)11)14-7-3-6-13-2/h4-5H,3,6-7H2,1-2H3
InChIKeyFFPVOUVDXRJUDB-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.46
Rot. Bonds5

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

2-chloro-4-(3-methoxypropoxy)-3-methylpyridine (PubChem CID 141469218) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(3-methoxypropoxy)-3-methylpyridine
PubChem CID141469218
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-chloro-4-(3-methoxypropoxy)-3-methylpyridine
SMILESCOCCCOc1ccnc(Cl)c1C
InChIInChI=1S/C10H14ClNO2/c1-8-9(4-5-12-10(8)11)14-7-3-6-13-2/h4-5H,3,6-7H2,1-2H3
InChIKeyFFPVOUVDXRJUDB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropoxy)-3-methylpyridine-2-carbaldehyde
CID 10081815
4-(3-chloropropoxy)-2,3-dimethylpyridine
CID 173285585
2-chloro-3-methyl-4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethoxy]pyridine
CID 171850795
2-(chloromethyl)-4-(3-chloropropoxy)-3-methylpyridine
CID 22460786
2-(1H-imidazol-2-ylsulfinylmethyl)-4-(3-methoxypropoxy)-3-methylpyridine
CID 22394091
3-hydroxy-4-(3-methoxypropoxy)pyridine-2-carboxylic acid
CID 19960346
4-(4-chlorobutoxy)-2-(chloromethyl)-3-methylpyridine;hydrochloride
CID 18404155
4-(3-methoxypropoxy)-3-methylaniline
CID 26190033
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544
2-chloro-3-fluoro-4-(2-methoxyethyl)pyridine
CID 171815314
2-(chloromethyl)-3-methyl-4-propoxypyridine;hydrochloride
CID 21296003

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine?
The IUPAC name of 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine (CID 141469218) is 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine.
What is the SMILES notation for 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine?
The canonical SMILES for 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine is COCCCOc1ccnc(Cl)c1C.
What is the InChIKey of 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine?
The InChIKey is FFPVOUVDXRJUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-8-9(4-5-12-10(8)11)14-7-3-6-13-2/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine?
2-chloro-4-(3-methoxypropoxy)-3-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 2-chloro-4-(3-methoxypropoxy)-3-methylpyridine is sourced from PubChem (CID 141469218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).