2-(chloromethyl)-6-heptoxypyridine

C13H20ClNO — CID 63446220

IUPAC2-(chloromethyl)-6-heptoxypyridine
SMILESCCCCCCCOc1cccc(CCl)n1
InChIInChI=1S/C13H20ClNO/c1-2-3-4-5-6-10-16-13-9-7-8-12(11-14)15-13/h7-9H,2-6,10-11H2,1H3
InChIKeyXONSTQDRKGERIO-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.17
Rot. Bonds8

About 2-(chloromethyl)-6-heptoxypyridine

2-(chloromethyl)-6-heptoxypyridine (PubChem CID 63446220) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(chloromethyl)-6-heptoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-heptoxypyridine
PubChem CID63446220
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(chloromethyl)-6-heptoxypyridine
SMILESCCCCCCCOc1cccc(CCl)n1
InChIInChI=1S/C13H20ClNO/c1-2-3-4-5-6-10-16-13-9-7-8-12(11-14)15-13/h7-9H,2-6,10-11H2,1H3
InChIKeyXONSTQDRKGERIO-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-6-heptoxypyridine?
The IUPAC name of 2-(chloromethyl)-6-heptoxypyridine (CID 63446220) is 2-(chloromethyl)-6-heptoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-6-heptoxypyridine?
The canonical SMILES for 2-(chloromethyl)-6-heptoxypyridine is CCCCCCCOc1cccc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-heptoxypyridine?
The InChIKey is XONSTQDRKGERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-2-3-4-5-6-10-16-13-9-7-8-12(11-14)15-13/h7-9H,2-6,10-11H2,1H3.
What are the key properties of 2-(chloromethyl)-6-heptoxypyridine?
2-(chloromethyl)-6-heptoxypyridine has a molecular weight of 241.76 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-heptoxypyridine is sourced from PubChem (CID 63446220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).