5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde

C19H13N3O2 — CID 123604961

IUPAC5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C19H13N3O2/c23-12-19-17-9-13(6-7-18(17)21-22-19)14-8-16(11-20-10-14)24-15-4-2-1-3-5-15/h1-12H,(H,21,22)
InChIKeyDWSFWHWNMNZRQQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.23
Rot. Bonds4

About 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde

5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde (PubChem CID 123604961) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde
PubChem CID123604961
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC Name5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2ccc(-c3cncc(Oc4ccccc4)c3)cc12
InChIInChI=1S/C19H13N3O2/c23-12-19-17-9-13(6-7-18(17)21-22-19)14-8-16(11-20-10-14)24-15-4-2-1-3-5-15/h1-12H,(H,21,22)
InChIKeyDWSFWHWNMNZRQQ-UHFFFAOYSA-N
XLogP4.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.23
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 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde (CID 123604961) is 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2ccc(-c3cncc(Oc4ccccc4)c3)cc12.
What is the InChIKey of 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde?
The InChIKey is DWSFWHWNMNZRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-12-19-17-9-13(6-7-18(17)21-22-19)14-8-16(11-20-10-14)24-15-4-2-1-3-5-15/h1-12H,(H,21,22).
What are the key properties of 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde?
5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde has a molecular weight of 315.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenoxy-3-pyridinyl)-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 123604961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).