3-(6-hydroxyindazol-1-yl)benzaldehyde

C14H10N2O2 — CID 136917932

IUPAC3-(6-hydroxyindazol-1-yl)benzaldehyde
SMILESO=Cc1cccc(-n2ncc3ccc(O)cc32)c1
InChIInChI=1S/C14H10N2O2/c17-9-10-2-1-3-12(6-10)16-14-7-13(18)5-4-11(14)8-15-16/h1-9,18H
InChIKeyBMJWBMQBCXSHRL-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.54
Rot. Bonds2

About 3-(6-hydroxyindazol-1-yl)benzaldehyde

3-(6-hydroxyindazol-1-yl)benzaldehyde (PubChem CID 136917932) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-(6-hydroxyindazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name3-(6-hydroxyindazol-1-yl)benzaldehyde
PubChem CID136917932
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-(6-hydroxyindazol-1-yl)benzaldehyde
SMILESO=Cc1cccc(-n2ncc3ccc(O)cc32)c1
InChIInChI=1S/C14H10N2O2/c17-9-10-2-1-3-12(6-10)16-14-7-13(18)5-4-11(14)8-15-16/h1-9,18H
InChIKeyBMJWBMQBCXSHRL-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyindazol-1-yl)benzaldehyde?
The IUPAC name of 3-(6-hydroxyindazol-1-yl)benzaldehyde (CID 136917932) is 3-(6-hydroxyindazol-1-yl)benzaldehyde.
What is the SMILES notation for 3-(6-hydroxyindazol-1-yl)benzaldehyde?
The canonical SMILES for 3-(6-hydroxyindazol-1-yl)benzaldehyde is O=Cc1cccc(-n2ncc3ccc(O)cc32)c1.
What is the InChIKey of 3-(6-hydroxyindazol-1-yl)benzaldehyde?
The InChIKey is BMJWBMQBCXSHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-9-10-2-1-3-12(6-10)16-14-7-13(18)5-4-11(14)8-15-16/h1-9,18H.
What are the key properties of 3-(6-hydroxyindazol-1-yl)benzaldehyde?
3-(6-hydroxyindazol-1-yl)benzaldehyde has a molecular weight of 238.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyindazol-1-yl)benzaldehyde is sourced from PubChem (CID 136917932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).