3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine

C10H9Cl2N3O — CID 116793288

IUPAC3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
SMILESCn1cc(Oc2ccc(Cl)c(CCl)n2)cn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-6-7(5-13-15)16-10-3-2-8(12)9(4-11)14-10/h2-3,5-6H,4H2,1H3
InChIKeyAQKCFJWCEJCSMP-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.00
Rot. Bonds3

About 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine

3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine (PubChem CID 116793288) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
PubChem CID116793288
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
SMILESCn1cc(Oc2ccc(Cl)c(CCl)n2)cn1
InChIInChI=1S/C10H9Cl2N3O/c1-15-6-7(5-13-15)16-10-3-2-8(12)9(4-11)14-10/h2-3,5-6H,4H2,1H3
InChIKeyAQKCFJWCEJCSMP-UHFFFAOYSA-N
XLogP3.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.00
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 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine (CID 116793288) is 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine is Cn1cc(Oc2ccc(Cl)c(CCl)n2)cn1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine?
The InChIKey is AQKCFJWCEJCSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-15-6-7(5-13-15)16-10-3-2-8(12)9(4-11)14-10/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine?
3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine has a molecular weight of 258.11 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 116793288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).