3-chloro-1-hydroxyindazole

C7H5ClN2O — CID 119091474

IUPAC3-chloro-1-hydroxyindazole
SMILESOn1nc(Cl)c2ccccc21
InChIInChI=1S/C7H5ClN2O/c8-7-5-3-1-2-4-6(5)10(11)9-7/h1-4,11H
InChIKeyYNBYNRGWMJVCSJ-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.93
Rot. Bonds

About 3-chloro-1-hydroxyindazole

3-chloro-1-hydroxyindazole (PubChem CID 119091474) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 3-chloro-1-hydroxyindazole.

Molecular Properties

Compound Name3-chloro-1-hydroxyindazole
PubChem CID119091474
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name3-chloro-1-hydroxyindazole
SMILESOn1nc(Cl)c2ccccc21
InChIInChI=1S/C7H5ClN2O/c8-7-5-3-1-2-4-6(5)10(11)9-7/h1-4,11H
InChIKeyYNBYNRGWMJVCSJ-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloroindazole-1-carboxylic acid
CID 68876462
1-hydroxy-3-(trifluoromethyl)indazole
CID 137437749
3-ethynyl-1-hydroxyindazole
CID 137437631
1-(3-chloroindazol-1-yl)ethanethiol
CID 176717185
1-hydroxy-N-propan-2-ylindazol-3-amine
CID 166796836
1-hydroxy-3-prop-2-enylindazole
CID 141361641
2-(3-chloroindazol-1-yl)acetaldehyde
CID 89325670
cis-(2S,5R)-5-(3-chloroindazol-1-yl)-2-methylcyclohexan-1-ol
CID 176717228
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
3-chloro-1-[(1-methylazepan-1-ium-1-yl)methyl]indazole
CID 134111890
5-chloro-2-phenylpyrazolo[1,5-a]quinazoline
CID 73334175
ethane;9-hydroxycarbazole
CID 153391260

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-hydroxyindazole?
The IUPAC name of 3-chloro-1-hydroxyindazole (CID 119091474) is 3-chloro-1-hydroxyindazole.
What is the SMILES notation for 3-chloro-1-hydroxyindazole?
The canonical SMILES for 3-chloro-1-hydroxyindazole is On1nc(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1-hydroxyindazole?
The InChIKey is YNBYNRGWMJVCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-7-5-3-1-2-4-6(5)10(11)9-7/h1-4,11H.
What are the key properties of 3-chloro-1-hydroxyindazole?
3-chloro-1-hydroxyindazole has a molecular weight of 168.58 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-hydroxyindazole is sourced from PubChem (CID 119091474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).