1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde

C14H11N3O — CID 123739910

IUPAC1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
SMILESO=Cc1ccc2c(cnn2Cc2ccccn2)c1
InChIInChI=1S/C14H11N3O/c18-10-11-4-5-14-12(7-11)8-16-17(14)9-13-3-1-2-6-15-13/h1-8,10H,9H2
InChIKeyNOAMIEPJAFOXEW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.29
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde

1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde (PubChem CID 123739910) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
PubChem CID123739910
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde
SMILESO=Cc1ccc2c(cnn2Cc2ccccn2)c1
InChIInChI=1S/C14H11N3O/c18-10-11-4-5-14-12(7-11)8-16-17(14)9-13-3-1-2-6-15-13/h1-8,10H,9H2
InChIKeyNOAMIEPJAFOXEW-UHFFFAOYSA-N
XLogP2.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
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 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde?
The IUPAC name of 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde (CID 123739910) is 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde?
The canonical SMILES for 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde is O=Cc1ccc2c(cnn2Cc2ccccn2)c1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde?
The InChIKey is NOAMIEPJAFOXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c18-10-11-4-5-14-12(7-11)8-16-17(14)9-13-3-1-2-6-15-13/h1-8,10H,9H2.
What are the key properties of 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde?
1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde has a molecular weight of 237.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)indazole-5-carbaldehyde is sourced from PubChem (CID 123739910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).