2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine

C11H12ClN3O — CID 81346004

IUPAC2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
SMILESCc1cc(Oc2cccc(CCl)n2)n(C)n1
InChIInChI=1S/C11H12ClN3O/c1-8-6-11(15(2)14-8)16-10-5-3-4-9(7-12)13-10/h3-6H,7H2,1-2H3
InChIKeyOCCVLWSUUJNCOI-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.65
Rot. Bonds3

About 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine

2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine (PubChem CID 81346004) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
PubChem CID81346004
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
SMILESCc1cc(Oc2cccc(CCl)n2)n(C)n1
InChIInChI=1S/C11H12ClN3O/c1-8-6-11(15(2)14-8)16-10-5-3-4-9(7-12)13-10/h3-6H,7H2,1-2H3
InChIKeyOCCVLWSUUJNCOI-UHFFFAOYSA-N
XLogP2.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The IUPAC name of 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine (CID 81346004) is 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The canonical SMILES for 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine is Cc1cc(Oc2cccc(CCl)n2)n(C)n1.
What is the InChIKey of 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The InChIKey is OCCVLWSUUJNCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-6-11(15(2)14-8)16-10-5-3-4-9(7-12)13-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine has a molecular weight of 237.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine is sourced from PubChem (CID 81346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).