3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol

C10H11ClN2O2 — CID 171862199

IUPAC3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol
SMILESOC(CCl)C(O)c1cccc2[nH]ncc12
InChIInChI=1S/C10H11ClN2O2/c11-4-9(14)10(15)6-2-1-3-8-7(6)5-12-13-8/h1-3,5,9-10,14-15H,4H2,(H,12,13)
InChIKeyLIQCYJCCKQDRAJ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.20
Rot. Bonds3

About 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol

3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol (PubChem CID 171862199) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol
PubChem CID171862199
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol
SMILESOC(CCl)C(O)c1cccc2[nH]ncc12
InChIInChI=1S/C10H11ClN2O2/c11-4-9(14)10(15)6-2-1-3-8-7(6)5-12-13-8/h1-3,5,9-10,14-15H,4H2,(H,12,13)
InChIKeyLIQCYJCCKQDRAJ-UHFFFAOYSA-N
XLogP1.20
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indazol-4-yl)ethanethiol
CID 135200375
1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
CID 171861448
benzyl N-[3,4-dihydroxy-4-(1H-indazol-4-yl)butyl]carbamate
CID 171888590
3-chloro-1-(2-methylphenyl)propane-1,2-diol
CID 171861461
2-(1H-indazol-4-yl)propane-1-sulfinate
CID 91570562
3-chloro-1-(3-chloro-2-hydroxyphenyl)propane-1,2-diol
CID 171863335
CID 174665708
CID 174665708
3,4-dihydroxy-4-(1H-indol-4-yl)butanenitrile
CID 171901139
sodium;hydride;1H-indazole-4-thiol
CID 175160320
sodium;4-chloro-1H-indazole;hydride
CID 175559887
3-chloro-1-(3-chloro-2-fluorophenyl)propane-1,2-diol
CID 171861609
1-(3-bromo-2-fluorophenyl)-3-chloropropane-1,2-diol
CID 171863326

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol?
The IUPAC name of 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol (CID 171862199) is 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol.
What is the SMILES notation for 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol?
The canonical SMILES for 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol is OC(CCl)C(O)c1cccc2[nH]ncc12.
What is the InChIKey of 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol?
The InChIKey is LIQCYJCCKQDRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-4-9(14)10(15)6-2-1-3-8-7(6)5-12-13-8/h1-3,5,9-10,14-15H,4H2,(H,12,13).
What are the key properties of 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol?
3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol has a molecular weight of 226.66 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol is sourced from PubChem (CID 171862199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).