4-(6-chloro-1H-indazol-3-yl)benzaldehyde

C14H9ClN2O — CID 155424829

IUPAC4-(6-chloro-1H-indazol-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C14H9ClN2O/c15-11-5-6-12-13(7-11)16-17-14(12)10-3-1-9(8-18)2-4-10/h1-8H,(H,16,17)
InChIKeyZQPAZEYVVXFBIL-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.70
Rot. Bonds2

About 4-(6-chloro-1H-indazol-3-yl)benzaldehyde

4-(6-chloro-1H-indazol-3-yl)benzaldehyde (PubChem CID 155424829) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-3-yl)benzaldehyde
PubChem CID155424829
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name4-(6-chloro-1H-indazol-3-yl)benzaldehyde
SMILESO=Cc1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C14H9ClN2O/c15-11-5-6-12-13(7-11)16-17-14(12)10-3-1-9(8-18)2-4-10/h1-8H,(H,16,17)
InChIKeyZQPAZEYVVXFBIL-UHFFFAOYSA-N
XLogP3.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.70
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 4-(6-chloro-1H-indazol-3-yl)benzaldehyde?
The IUPAC name of 4-(6-chloro-1H-indazol-3-yl)benzaldehyde (CID 155424829) is 4-(6-chloro-1H-indazol-3-yl)benzaldehyde.
What is the SMILES notation for 4-(6-chloro-1H-indazol-3-yl)benzaldehyde?
The canonical SMILES for 4-(6-chloro-1H-indazol-3-yl)benzaldehyde is O=Cc1ccc(-c2n[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 4-(6-chloro-1H-indazol-3-yl)benzaldehyde?
The InChIKey is ZQPAZEYVVXFBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-11-5-6-12-13(7-11)16-17-14(12)10-3-1-9(8-18)2-4-10/h1-8H,(H,16,17).
What are the key properties of 4-(6-chloro-1H-indazol-3-yl)benzaldehyde?
4-(6-chloro-1H-indazol-3-yl)benzaldehyde has a molecular weight of 256.69 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-3-yl)benzaldehyde is sourced from PubChem (CID 155424829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).