5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde

C15H12ClN3O2 — CID 126481224

IUPAC5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
SMILESCC(Oc1ccc2n[nH]c(C=O)c2c1)c1ccncc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-9(11-4-5-17-7-13(11)16)21-10-2-3-14-12(6-10)15(8-20)19-18-14/h2-9H,1H3,(H,18,19)
InChIKeyLOJJVWGBYWKMGP-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.56
Rot. Bonds4

About 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde

5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde (PubChem CID 126481224) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
PubChem CID126481224
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
SMILESCC(Oc1ccc2n[nH]c(C=O)c2c1)c1ccncc1Cl
InChIInChI=1S/C15H12ClN3O2/c1-9(11-4-5-17-7-13(11)16)21-10-2-3-14-12(6-10)15(8-20)19-18-14/h2-9H,1H3,(H,18,19)
InChIKeyLOJJVWGBYWKMGP-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.56
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-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde (CID 126481224) is 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde is CC(Oc1ccc2n[nH]c(C=O)c2c1)c1ccncc1Cl.
What is the InChIKey of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
The InChIKey is LOJJVWGBYWKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9(11-4-5-17-7-13(11)16)21-10-2-3-14-12(6-10)15(8-20)19-18-14/h2-9H,1H3,(H,18,19).
What are the key properties of 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde?
5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde has a molecular weight of 301.73 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 126481224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).