3-(3-chloro-2H-indazol-5-yl)propanal

C10H9ClN2O — CID 117298075

IUPAC3-(3-chloro-2H-indazol-5-yl)propanal
SMILESO=CCCc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C10H9ClN2O/c11-10-8-6-7(2-1-5-14)3-4-9(8)12-13-10/h3-6H,1-2H2,(H,12,13)
InChIKeyHRPHSDGWPZYSLQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.35
Rot. Bonds3

About 3-(3-chloro-2H-indazol-5-yl)propanal

3-(3-chloro-2H-indazol-5-yl)propanal (PubChem CID 117298075) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-(3-chloro-2H-indazol-5-yl)propanal.

Molecular Properties

Compound Name3-(3-chloro-2H-indazol-5-yl)propanal
PubChem CID117298075
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-(3-chloro-2H-indazol-5-yl)propanal
SMILESO=CCCc1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C10H9ClN2O/c11-10-8-6-7(2-1-5-14)3-4-9(8)12-13-10/h3-6H,1-2H2,(H,12,13)
InChIKeyHRPHSDGWPZYSLQ-UHFFFAOYSA-N
XLogP2.35
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2H-indazol-5-yl)propanal?
The IUPAC name of 3-(3-chloro-2H-indazol-5-yl)propanal (CID 117298075) is 3-(3-chloro-2H-indazol-5-yl)propanal.
What is the SMILES notation for 3-(3-chloro-2H-indazol-5-yl)propanal?
The canonical SMILES for 3-(3-chloro-2H-indazol-5-yl)propanal is O=CCCc1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 3-(3-chloro-2H-indazol-5-yl)propanal?
The InChIKey is HRPHSDGWPZYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-10-8-6-7(2-1-5-14)3-4-9(8)12-13-10/h3-6H,1-2H2,(H,12,13).
What are the key properties of 3-(3-chloro-2H-indazol-5-yl)propanal?
3-(3-chloro-2H-indazol-5-yl)propanal has a molecular weight of 208.65 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2H-indazol-5-yl)propanal is sourced from PubChem (CID 117298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).