3-phenyl-1H-indazole-6-carbaldehyde

C14H10N2O — CID 105479032

IUPAC3-phenyl-1H-indazole-6-carbaldehyde
SMILESO=Cc1ccc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C14H10N2O/c17-9-10-6-7-12-13(8-10)15-16-14(12)11-4-2-1-3-5-11/h1-9H,(H,15,16)
InChIKeyMMHNAGYYQXHLKV-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.04
Rot. Bonds2

About 3-phenyl-1H-indazole-6-carbaldehyde

3-phenyl-1H-indazole-6-carbaldehyde (PubChem CID 105479032) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-phenyl-1H-indazole-6-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-1H-indazole-6-carbaldehyde
PubChem CID105479032
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-phenyl-1H-indazole-6-carbaldehyde
SMILESO=Cc1ccc2c(-c3ccccc3)n[nH]c2c1
InChIInChI=1S/C14H10N2O/c17-9-10-6-7-12-13(8-10)15-16-14(12)11-4-2-1-3-5-11/h1-9H,(H,15,16)
InChIKeyMMHNAGYYQXHLKV-UHFFFAOYSA-N
XLogP3.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloro-1H-indazol-3-yl)benzaldehyde
CID 155424829
3-phenyl-1H-indazol-6-amine
CID 18616705
tert-butyl formate;3-phenyl-1H-indazol-6-ol
CID 174616120
N-(4-fluorophenyl)-3-phenyl-1H-indazol-6-amine
CID 10149575
fluoroform;3-phenyl-1H-indazole
CID 160622015
3-(3,5-diphenylphenyl)-1H-indazole
CID 142357512
9,10-diphenylphenanthrene-3-carbaldehyde
CID 102277124
4-phenylquinazoline-6-carbaldehyde
CID 57469642
4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
CID 142236684
3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
N-(2-fluorophenyl)-3-phenyl-1H-indazol-6-amine
CID 10171794
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-indazole-6-carbaldehyde?
The IUPAC name of 3-phenyl-1H-indazole-6-carbaldehyde (CID 105479032) is 3-phenyl-1H-indazole-6-carbaldehyde.
What is the SMILES notation for 3-phenyl-1H-indazole-6-carbaldehyde?
The canonical SMILES for 3-phenyl-1H-indazole-6-carbaldehyde is O=Cc1ccc2c(-c3ccccc3)n[nH]c2c1.
What is the InChIKey of 3-phenyl-1H-indazole-6-carbaldehyde?
The InChIKey is MMHNAGYYQXHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-9-10-6-7-12-13(8-10)15-16-14(12)11-4-2-1-3-5-11/h1-9H,(H,15,16).
What are the key properties of 3-phenyl-1H-indazole-6-carbaldehyde?
3-phenyl-1H-indazole-6-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-indazole-6-carbaldehyde is sourced from PubChem (CID 105479032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).