6-chloro-5-methyl-2H-indazole-3-carbaldehyde

C9H7ClN2O — CID 82400732

IUPAC6-chloro-5-methyl-2H-indazole-3-carbaldehyde
SMILESCc1cc2c(C=O)[nH]nc2cc1Cl
InChIInChI=1S/C9H7ClN2O/c1-5-2-6-8(3-7(5)10)11-12-9(6)4-13/h2-4H,1H3,(H,11,12)
InChIKeyQDCUETNBQHWZBP-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.34
Rot. Bonds1

About 6-chloro-5-methyl-2H-indazole-3-carbaldehyde

6-chloro-5-methyl-2H-indazole-3-carbaldehyde (PubChem CID 82400732) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 6-chloro-5-methyl-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-5-methyl-2H-indazole-3-carbaldehyde
PubChem CID82400732
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name6-chloro-5-methyl-2H-indazole-3-carbaldehyde
SMILESCc1cc2c(C=O)[nH]nc2cc1Cl
InChIInChI=1S/C9H7ClN2O/c1-5-2-6-8(3-7(5)10)11-12-9(6)4-13/h2-4H,1H3,(H,11,12)
InChIKeyQDCUETNBQHWZBP-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-5-methyl-2H-indazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-iodo-5-methyl-2H-indazole
CID 74888467
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116
3-chloro-5,6-dimethyl-2H-indazole
CID 130053419
4-chloro-6-fluoro-2H-indazole-3-carbaldehyde
CID 24728176
5-iodo-2H-indazole-3-carbaldehyde
CID 23134546
4-chloro-7-methyl-2H-indazole-3-carbaldehyde
CID 24729302
6-(trifluoromethyl)-2H-indazole-3-carbaldehyde
CID 24729230
5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazole-3-carbaldehyde
CID 126481224
5-chloro-2,4-dimethylbenzaldehyde
CID 82645261
(3-formyl-2H-indazol-5-yl) acetate
CID 86682047
5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
CID 88928943
6-(4-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
CID 88969456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2H-indazole-3-carbaldehyde?
The IUPAC name of 6-chloro-5-methyl-2H-indazole-3-carbaldehyde (CID 82400732) is 6-chloro-5-methyl-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-5-methyl-2H-indazole-3-carbaldehyde?
The canonical SMILES for 6-chloro-5-methyl-2H-indazole-3-carbaldehyde is Cc1cc2c(C=O)[nH]nc2cc1Cl.
What is the InChIKey of 6-chloro-5-methyl-2H-indazole-3-carbaldehyde?
The InChIKey is QDCUETNBQHWZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-5-2-6-8(3-7(5)10)11-12-9(6)4-13/h2-4H,1H3,(H,11,12).
What are the key properties of 6-chloro-5-methyl-2H-indazole-3-carbaldehyde?
6-chloro-5-methyl-2H-indazole-3-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 82400732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).