2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine

C13H16ClN3O — CID 79800385

IUPAC2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
SMILESCCn1nc(C)cc1COc1ccc(CCl)nc1
InChIInChI=1S/C13H16ClN3O/c1-3-17-12(6-10(2)16-17)9-18-13-5-4-11(7-14)15-8-13/h4-6,8H,3,7,9H2,1-2H3
InChIKeyHLCSVDAZVXZANS-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.92
Rot. Bonds5

About 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine

2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine (PubChem CID 79800385) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
PubChem CID79800385
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
SMILESCCn1nc(C)cc1COc1ccc(CCl)nc1
InChIInChI=1S/C13H16ClN3O/c1-3-17-12(6-10(2)16-17)9-18-13-5-4-11(7-14)15-8-13/h4-6,8H,3,7,9H2,1-2H3
InChIKeyHLCSVDAZVXZANS-UHFFFAOYSA-N
XLogP2.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.92
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

2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine
CID 79800563
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
5-[(2,6-dimethylphenoxy)methyl]-1-ethyl-3-methylpyrazole
CID 83057632
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79799554
3-[4-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-2-methylphenyl]prop-2-yn-1-ol
CID 83137368
[3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-5-fluorophenyl]boronic acid
CID 81332077
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone
CID 82003080
5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
CID 79799948
5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683366
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
CID 79800294
3-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methylbenzonitrile
CID 107663258

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine?
The IUPAC name of 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine (CID 79800385) is 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine is CCn1nc(C)cc1COc1ccc(CCl)nc1.
What is the InChIKey of 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine?
The InChIKey is HLCSVDAZVXZANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-17-12(6-10(2)16-17)9-18-13-5-4-11(7-14)15-8-13/h4-6,8H,3,7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine?
2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine has a molecular weight of 265.74 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine is sourced from PubChem (CID 79800385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).