6-chloro-2H-indazole-3-carbaldehyde

C8H5ClN2O — CID 22136519

IUPAC6-chloro-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
InChIKeyYQELBDVPJNKBAP-UHFFFAOYSA-N
MW180.59 g/mol
LogP2.03
Rot. Bonds1

About 6-chloro-2H-indazole-3-carbaldehyde

6-chloro-2H-indazole-3-carbaldehyde (PubChem CID 22136519) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 6-chloro-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2H-indazole-3-carbaldehyde
PubChem CID22136519
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name6-chloro-2H-indazole-3-carbaldehyde
SMILESO=Cc1[nH]nc2cc(Cl)ccc12
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11)
InChIKeyYQELBDVPJNKBAP-UHFFFAOYSA-N
XLogP2.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Indazole-3-carboxamide
CID 20978176
1-(1H-indazol-3-yl)ethan-1-one
CID 15684169
Indazole-3-carbaldehyde
CID 11367068
3-(4-chloro-1H-indazol-3-yl)benzamide
CID 118712907
3-Chloro-1H-indazole-5-carboxaldehyde
CID 45790262
1-[5-(2-chlorophenyl)-1H-indazol-3-yl]propan-1-one
CID 168271290
4-chloro-1H-indazole-3-carbaldehyde
CID 24728198
6-chloro-1H-indazole-3-carboxylic Acid
CID 10584062
3-formyl-1H-indazole-6-carbonitrile
CID 10749693
7-methyl-1H-indazole-3-carbaldehyde
CID 21032425
5-Fluoro-1H-indazole-3-carbaldehyde
CID 22056130
5-methyl-1H-indazole-3-carbaldehyde
CID 22477842

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2H-indazole-3-carbaldehyde?
The IUPAC name of 6-chloro-2H-indazole-3-carbaldehyde (CID 22136519) is 6-chloro-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-2H-indazole-3-carbaldehyde?
The canonical SMILES for 6-chloro-2H-indazole-3-carbaldehyde is O=Cc1[nH]nc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-2H-indazole-3-carbaldehyde?
The InChIKey is YQELBDVPJNKBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-11-8(6)4-12/h1-4H,(H,10,11).
What are the key properties of 6-chloro-2H-indazole-3-carbaldehyde?
6-chloro-2H-indazole-3-carbaldehyde has a molecular weight of 180.59 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 22136519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).