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

C11H11Cl2N3O — CID 81346162

IUPAC3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
SMILESCc1cc(Oc2ccc(Cl)c(CCl)n2)n(C)n1
InChIInChI=1S/C11H11Cl2N3O/c1-7-5-11(16(2)15-7)17-10-4-3-8(13)9(6-12)14-10/h3-5H,6H2,1-2H3
InChIKeyYWONIFKUONAFFD-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.31
Rot. Bonds3

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

3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine (PubChem CID 81346162) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
PubChem CID81346162
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.14 g/mol
Exact Mass271.03
IUPAC Name3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine
SMILESCc1cc(Oc2ccc(Cl)c(CCl)n2)n(C)n1
InChIInChI=1S/C11H11Cl2N3O/c1-7-5-11(16(2)15-7)17-10-4-3-8(13)9(6-12)14-10/h3-5H,6H2,1-2H3
InChIKeyYWONIFKUONAFFD-UHFFFAOYSA-N
XLogP3.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.31
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-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The IUPAC name of 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine (CID 81346162) is 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine.
What is the SMILES notation for 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The canonical SMILES for 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine is Cc1cc(Oc2ccc(Cl)c(CCl)n2)n(C)n1.
What is the InChIKey of 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
The InChIKey is YWONIFKUONAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7-5-11(16(2)15-7)17-10-4-3-8(13)9(6-12)14-10/h3-5H,6H2,1-2H3.
What are the key properties of 3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine?
3-chloro-2-(chloromethyl)-6-(2,5-dimethylpyrazol-3-yl)oxypyridine has a molecular weight of 272.14 g/mol, XLogP of 3.31, 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-(2,5-dimethylpyrazol-3-yl)oxypyridine is sourced from PubChem (CID 81346162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).