4-hydroxy-1H-indazole-6-carbonitrile

C8H5N3O — CID 136654039

IUPAC4-hydroxy-1H-indazole-6-carbonitrile
SMILESN#Cc1cc(O)c2cn[nH]c2c1
InChIInChI=1S/C8H5N3O/c9-3-5-1-7-6(4-10-11-7)8(12)2-5/h1-2,4,12H,(H,10,11)
InChIKeyDHRDGHOXKBNDGG-UHFFFAOYSA-N
MW159.15 g/mol
LogP1.14
Rot. Bonds

About 4-hydroxy-1H-indazole-6-carbonitrile

4-hydroxy-1H-indazole-6-carbonitrile (PubChem CID 136654039) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 4-hydroxy-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1H-indazole-6-carbonitrile
PubChem CID136654039
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name4-hydroxy-1H-indazole-6-carbonitrile
SMILESN#Cc1cc(O)c2cn[nH]c2c1
InChIInChI=1S/C8H5N3O/c9-3-5-1-7-6(4-10-11-7)8(12)2-5/h1-2,4,12H,(H,10,11)
InChIKeyDHRDGHOXKBNDGG-UHFFFAOYSA-N
XLogP1.14
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-indazole-6-carbonitrile?
The IUPAC name of 4-hydroxy-1H-indazole-6-carbonitrile (CID 136654039) is 4-hydroxy-1H-indazole-6-carbonitrile.
What is the SMILES notation for 4-hydroxy-1H-indazole-6-carbonitrile?
The canonical SMILES for 4-hydroxy-1H-indazole-6-carbonitrile is N#Cc1cc(O)c2cn[nH]c2c1.
What is the InChIKey of 4-hydroxy-1H-indazole-6-carbonitrile?
The InChIKey is DHRDGHOXKBNDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-3-5-1-7-6(4-10-11-7)8(12)2-5/h1-2,4,12H,(H,10,11).
What are the key properties of 4-hydroxy-1H-indazole-6-carbonitrile?
4-hydroxy-1H-indazole-6-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1H-indazole-6-carbonitrile is sourced from PubChem (CID 136654039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).