7-(2-chloroethoxy)-1H-indazole

C9H9ClN2O — CID 118514918

IUPAC7-(2-chloroethoxy)-1H-indazole
SMILESClCCOc1cccc2cn[nH]c12
InChIInChI=1S/C9H9ClN2O/c10-4-5-13-8-3-1-2-7-6-11-12-9(7)8/h1-3,6H,4-5H2,(H,11,12)
InChIKeyWABDPPBKPOAWRK-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.18
Rot. Bonds3

About 7-(2-chloroethoxy)-1H-indazole

7-(2-chloroethoxy)-1H-indazole (PubChem CID 118514918) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-(2-chloroethoxy)-1H-indazole.

Molecular Properties

Compound Name7-(2-chloroethoxy)-1H-indazole
PubChem CID118514918
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name7-(2-chloroethoxy)-1H-indazole
SMILESClCCOc1cccc2cn[nH]c12
InChIInChI=1S/C9H9ClN2O/c10-4-5-13-8-3-1-2-7-6-11-12-9(7)8/h1-3,6H,4-5H2,(H,11,12)
InChIKeyWABDPPBKPOAWRK-UHFFFAOYSA-N
XLogP2.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1H-indazol-7-yloxy)ethyl]-1-methylurea
CID 175715455
N-(1H-indazol-7-ylmethyl)cyclopropanamine
CID 115678445
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
CID 43730919
7-(2-methylpropyl)-1H-indazole
CID 167194868
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazol-7-amine
CID 62657519
2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
CID 167926705
8-(6-chlorohexoxy)quinoline
CID 62228191
N-(1H-indazol-7-ylmethyl)-N-methylhydroxylamine
CID 96741733
N-ethyl-N-oxido-1H-indazol-7-amine
CID 163876991
4-(2-chloroethoxy)-1,3,2-benzodioxazole
CID 172558174
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1H-indazole-7-carboxamide
CID 32520598

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroethoxy)-1H-indazole?
The IUPAC name of 7-(2-chloroethoxy)-1H-indazole (CID 118514918) is 7-(2-chloroethoxy)-1H-indazole.
What is the SMILES notation for 7-(2-chloroethoxy)-1H-indazole?
The canonical SMILES for 7-(2-chloroethoxy)-1H-indazole is ClCCOc1cccc2cn[nH]c12.
What is the InChIKey of 7-(2-chloroethoxy)-1H-indazole?
The InChIKey is WABDPPBKPOAWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-4-5-13-8-3-1-2-7-6-11-12-9(7)8/h1-3,6H,4-5H2,(H,11,12).
What are the key properties of 7-(2-chloroethoxy)-1H-indazole?
7-(2-chloroethoxy)-1H-indazole has a molecular weight of 196.64 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroethoxy)-1H-indazole is sourced from PubChem (CID 118514918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).