3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole

C15H14ClN3O — CID 79800388

IUPAC3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
SMILESCn1nc(COc2ccc(CCl)nc2)c2ccccc21
InChIInChI=1S/C15H14ClN3O/c1-19-15-5-3-2-4-13(15)14(18-19)10-20-12-7-6-11(8-16)17-9-12/h2-7,9H,8,10H2,1H3
InChIKeyLBAYLWIEQNTEJS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.29
Rot. Bonds4

About 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole

3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole (PubChem CID 79800388) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole.

Molecular Properties

Compound Name3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
PubChem CID79800388
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole
SMILESCn1nc(COc2ccc(CCl)nc2)c2ccccc21
InChIInChI=1S/C15H14ClN3O/c1-19-15-5-3-2-4-13(15)14(18-19)10-20-12-7-6-11(8-16)17-9-12/h2-7,9H,8,10H2,1H3
InChIKeyLBAYLWIEQNTEJS-UHFFFAOYSA-N
XLogP3.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.29
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

methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
[3-fluoro-2-[(1-methylindazol-3-yl)methoxy]phenyl]methanamine
CID 115952034
2-(chloromethyl)-5-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79799554
[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methoxy]-2-pyridinyl]methanol
CID 79800276
2-(chloromethyl)-5-[(1,3-diethylpyrazol-5-yl)methoxy]pyridine
CID 79800563
2-(chloromethyl)-5-[(4-chlorophenyl)methoxy]pyridine
CID 79800294
3-fluoro-2-[(1-methylindazol-3-yl)methoxy]benzaldehyde
CID 115955824
2-(chloromethyl)-5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]pyridine
CID 79800385
2-(chloromethyl)-5-[(3-methoxyphenyl)methoxy]pyridine
CID 79799843
2-[(Z)-2-(4-chlorophenyl)-1-[4-[(1-methylindazol-3-yl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazole
CID 67124791
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole?
The IUPAC name of 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole (CID 79800388) is 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole.
What is the SMILES notation for 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole?
The canonical SMILES for 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole is Cn1nc(COc2ccc(CCl)nc2)c2ccccc21.
What is the InChIKey of 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole?
The InChIKey is LBAYLWIEQNTEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-19-15-5-3-2-4-13(15)14(18-19)10-20-12-7-6-11(8-16)17-9-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole?
3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole has a molecular weight of 287.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(chloromethyl)-3-pyridinyl]oxymethyl]-1-methylindazole is sourced from PubChem (CID 79800388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).