5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde

C14H11N3O2 — CID 169494769

IUPAC5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde
SMILESCc1c(O)cncc1-c1ccc2n[nH]c(C=O)c2c1
InChIInChI=1S/C14H11N3O2/c1-8-11(5-15-6-14(8)19)9-2-3-12-10(4-9)13(7-18)17-16-12/h2-7,19H,1H3,(H,16,17)
InChIKeyIHLUPFHBULCSBQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.45
Rot. Bonds2

About 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde

5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde (PubChem CID 169494769) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde
PubChem CID169494769
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde
SMILESCc1c(O)cncc1-c1ccc2n[nH]c(C=O)c2c1
InChIInChI=1S/C14H11N3O2/c1-8-11(5-15-6-14(8)19)9-2-3-12-10(4-9)13(7-18)17-16-12/h2-7,19H,1H3,(H,16,17)
InChIKeyIHLUPFHBULCSBQ-UHFFFAOYSA-N
XLogP2.45
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
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 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde (CID 169494769) is 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde is Cc1c(O)cncc1-c1ccc2n[nH]c(C=O)c2c1.
What is the InChIKey of 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde?
The InChIKey is IHLUPFHBULCSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-8-11(5-15-6-14(8)19)9-2-3-12-10(4-9)13(7-18)17-16-12/h2-7,19H,1H3,(H,16,17).
What are the key properties of 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde?
5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde has a molecular weight of 253.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-4-methyl-3-pyridinyl)-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 169494769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).