5-chloro-2-methylindazole-6-carbaldehyde

C9H7ClN2O — CID 117110225

IUPAC5-chloro-2-methylindazole-6-carbaldehyde
SMILESCn1cc2cc(Cl)c(C=O)cc2n1
InChIInChI=1S/C9H7ClN2O/c1-12-4-6-2-8(10)7(5-13)3-9(6)11-12/h2-5H,1H3
InChIKeyUWEXFFPBLXOSGS-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.04
Rot. Bonds1

About 5-chloro-2-methylindazole-6-carbaldehyde

5-chloro-2-methylindazole-6-carbaldehyde (PubChem CID 117110225) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-chloro-2-methylindazole-6-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-methylindazole-6-carbaldehyde
PubChem CID117110225
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-chloro-2-methylindazole-6-carbaldehyde
SMILESCn1cc2cc(Cl)c(C=O)cc2n1
InChIInChI=1S/C9H7ClN2O/c1-12-4-6-2-8(10)7(5-13)3-9(6)11-12/h2-5H,1H3
InChIKeyUWEXFFPBLXOSGS-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'}

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Related Compounds

6-chloro-2,5-dimethylindazole
CID 171662405
4-chloro-2-methylindazole-6-carbaldehyde
CID 117110203
6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83884178
5-bromo-4-chloro-2-methylindazole;4-chloro-2-methylindazole-5-carbaldehyde
CID 167692123
2,5-dimethylindazole
CID 58763639
6-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
CID 10081355
5-bromo-2-methylindazole-7-carbaldehyde
CID 117110228
6-chloro-1,3-dimethylindazole-5-carbaldehyde
CID 117109823
5-tert-butyl-2-methylindazole
CID 68930740
2,4-dichloro-5-(1-methyl-3-phenylmethoxypyrazol-4-yl)benzaldehyde
CID 168867325
4-amino-5-(6-chloro-2-methylindazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327687
5-fluoro-2-methylindazol-6-amine
CID 117110292

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylindazole-6-carbaldehyde?
The IUPAC name of 5-chloro-2-methylindazole-6-carbaldehyde (CID 117110225) is 5-chloro-2-methylindazole-6-carbaldehyde.
What is the SMILES notation for 5-chloro-2-methylindazole-6-carbaldehyde?
The canonical SMILES for 5-chloro-2-methylindazole-6-carbaldehyde is Cn1cc2cc(Cl)c(C=O)cc2n1.
What is the InChIKey of 5-chloro-2-methylindazole-6-carbaldehyde?
The InChIKey is UWEXFFPBLXOSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-4-6-2-8(10)7(5-13)3-9(6)11-12/h2-5H,1H3.
What are the key properties of 5-chloro-2-methylindazole-6-carbaldehyde?
5-chloro-2-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 5-chloro-2-methylindazole-6-carbaldehyde is sourced from PubChem (CID 117110225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).