7-chloro-1-methylindazole-6-carbaldehyde

C9H7ClN2O — CID 117109713

IUPAC7-chloro-1-methylindazole-6-carbaldehyde
SMILESCn1ncc2ccc(C=O)c(Cl)c21
InChIInChI=1S/C9H7ClN2O/c1-12-9-6(4-11-12)2-3-7(5-13)8(9)10/h2-5H,1H3
InChIKeyIOJQRAJKJDIBFQ-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.04
Rot. Bonds1

About 7-chloro-1-methylindazole-6-carbaldehyde

7-chloro-1-methylindazole-6-carbaldehyde (PubChem CID 117109713) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 7-chloro-1-methylindazole-6-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1-methylindazole-6-carbaldehyde
PubChem CID117109713
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name7-chloro-1-methylindazole-6-carbaldehyde
SMILESCn1ncc2ccc(C=O)c(Cl)c21
InChIInChI=1S/C9H7ClN2O/c1-12-9-6(4-11-12)2-3-7(5-13)8(9)10/h2-5H,1H3
InChIKeyIOJQRAJKJDIBFQ-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-1-methylindazole-6-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-ethenyl-1-methyl-7-nitroindazole
CID 137443537
5-bromo-3,4-dichloro-2-methylindazole;3,4-dichloro-2-methylindazole-5-carbaldehyde
CID 158240739
7-iodo-1-methyl-6-propan-2-ylindazole
CID 118097493
9-chloro-1,7-dimethylpyrazolo[4,3-b]quinoline
CID 13303048
6-fluoro-1,7-dimethylindazole
CID 83381543
4-bromo-1-methylindazole-5-carbaldehyde
CID 117109426
1,6-dimethyl-7-nitroindazole
CID 170964555
5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine
CID 121416264
5-(3-chlorophenyl)-1-methylpyrazole-4-carbaldehyde
CID 83822497
1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde
CID 154681840
5-ethenyl-1-methylpyrazole-4-carbaldehyde
CID 121457966
1-methyl-6-nitroindazol-7-amine
CID 76846031

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methylindazole-6-carbaldehyde?
The IUPAC name of 7-chloro-1-methylindazole-6-carbaldehyde (CID 117109713) is 7-chloro-1-methylindazole-6-carbaldehyde.
What is the SMILES notation for 7-chloro-1-methylindazole-6-carbaldehyde?
The canonical SMILES for 7-chloro-1-methylindazole-6-carbaldehyde is Cn1ncc2ccc(C=O)c(Cl)c21.
What is the InChIKey of 7-chloro-1-methylindazole-6-carbaldehyde?
The InChIKey is IOJQRAJKJDIBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-9-6(4-11-12)2-3-7(5-13)8(9)10/h2-5H,1H3.
What are the key properties of 7-chloro-1-methylindazole-6-carbaldehyde?
7-chloro-1-methylindazole-6-carbaldehyde has a molecular weight of 194.62 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methylindazole-6-carbaldehyde is sourced from PubChem (CID 117109713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).