2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine

C10H10ClN3O — CID 81341581

IUPAC2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
SMILESCc1cc(Oc2cccc(CCl)n2)n[nH]1
InChIInChI=1S/C10H10ClN3O/c1-7-5-10(14-13-7)15-9-4-2-3-8(6-11)12-9/h2-5H,6H2,1H3,(H,13,14)
InChIKeyZBNKSXYFISQQTL-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.64
Rot. Bonds3

About 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine

2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine (PubChem CID 81341581) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
PubChem CID81341581
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine
SMILESCc1cc(Oc2cccc(CCl)n2)n[nH]1
InChIInChI=1S/C10H10ClN3O/c1-7-5-10(14-13-7)15-9-4-2-3-8(6-11)12-9/h2-5H,6H2,1H3,(H,13,14)
InChIKeyZBNKSXYFISQQTL-UHFFFAOYSA-N
XLogP2.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
The IUPAC name of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine (CID 81341581) is 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine is Cc1cc(Oc2cccc(CCl)n2)n[nH]1.
What is the InChIKey of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
The InChIKey is ZBNKSXYFISQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7-5-10(14-13-7)15-9-4-2-3-8(6-11)12-9/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine?
2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine has a molecular weight of 223.66 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine is sourced from PubChem (CID 81341581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).