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

C11H12ClN3O — CID 116793279

IUPAC3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine
SMILESCc1nc(Oc2cnn(C)c2)ccc1CCl
InChIInChI=1S/C11H12ClN3O/c1-8-9(5-12)3-4-11(14-8)16-10-6-13-15(2)7-10/h3-4,6-7H,5H2,1-2H3
InChIKeyWMFCCBLOEBAQCQ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.65
Rot. Bonds3

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

3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine (PubChem CID 116793279) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine
PubChem CID116793279
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine
SMILESCc1nc(Oc2cnn(C)c2)ccc1CCl
InChIInChI=1S/C11H12ClN3O/c1-8-9(5-12)3-4-11(14-8)16-10-6-13-15(2)7-10/h3-4,6-7H,5H2,1-2H3
InChIKeyWMFCCBLOEBAQCQ-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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Related Compounds

3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793288
[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
CID 116802826
6-(1-methylpyrazol-4-yl)oxypyridin-2-amine
CID 116794360
[6-(1-methylpyrazol-4-yl)oxy-2-pyridinyl]hydrazine
CID 116794539
4-[5-(chloromethyl)-2-methylphenoxy]-1-methylpyrazole
CID 105406127
[2-(1-methylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116793268
2-chloro-5-(1-methylpyrazol-4-yl)oxypyrazine
CID 130826945
2-(1-methylpyrazol-4-yl)oxypyridine
CID 117233488
4-[2-chloro-4-(chloromethyl)phenoxy]-1-methylpyrazole
CID 116793035
ethane;2-(1-methylpyrazol-4-yl)oxy-5-propan-2-ylpyridine
CID 176693071
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
CID 116802687
N,4-dimethyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116794381

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine?
The IUPAC name of 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine (CID 116793279) is 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine?
The canonical SMILES for 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine is Cc1nc(Oc2cnn(C)c2)ccc1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine?
The InChIKey is WMFCCBLOEBAQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-8-9(5-12)3-4-11(14-8)16-10-6-13-15(2)7-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine?
3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-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 3-(chloromethyl)-2-methyl-6-(1-methylpyrazol-4-yl)oxypyridine is sourced from PubChem (CID 116793279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).