2-(chloromethyl)-5-(3-methoxypropoxy)pyridine

C10H14ClNO2 — CID 79799760

IUPAC2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
SMILESCOCCCOc1ccc(CCl)nc1
InChIInChI=1S/C10H14ClNO2/c1-13-5-2-6-14-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7H2,1H3
InChIKeyAXSSMLDDDWYHQS-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.24
Rot. Bonds6

About 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine

2-(chloromethyl)-5-(3-methoxypropoxy)pyridine (PubChem CID 79799760) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
PubChem CID79799760
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(chloromethyl)-5-(3-methoxypropoxy)pyridine
SMILESCOCCCOc1ccc(CCl)nc1
InChIInChI=1S/C10H14ClNO2/c1-13-5-2-6-14-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7H2,1H3
InChIKeyAXSSMLDDDWYHQS-UHFFFAOYSA-N
XLogP2.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine (CID 79799760) is 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine is COCCCOc1ccc(CCl)nc1.
What is the InChIKey of 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine?
The InChIKey is AXSSMLDDDWYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-13-5-2-6-14-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine?
2-(chloromethyl)-5-(3-methoxypropoxy)pyridine has a molecular weight of 215.68 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(3-methoxypropoxy)pyridine is sourced from PubChem (CID 79799760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).