4-chloro-2-methylindazole-6-carbaldehyde

C9H7ClN2O — CID 117110203

IUPAC4-chloro-2-methylindazole-6-carbaldehyde
SMILESCn1cc2c(Cl)cc(C=O)cc2n1
InChIInChI=1S/C9H7ClN2O/c1-12-4-7-8(10)2-6(5-13)3-9(7)11-12/h2-5H,1H3
InChIKeyZQIYQJTUYMJOTO-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.04
Rot. Bonds1

About 4-chloro-2-methylindazole-6-carbaldehyde

4-chloro-2-methylindazole-6-carbaldehyde (PubChem CID 117110203) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-2-methylindazole-6-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-methylindazole-6-carbaldehyde
PubChem CID117110203
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name4-chloro-2-methylindazole-6-carbaldehyde
SMILESCn1cc2c(Cl)cc(C=O)cc2n1
InChIInChI=1S/C9H7ClN2O/c1-12-4-7-8(10)2-6(5-13)3-9(7)11-12/h2-5H,1H3
InChIKeyZQIYQJTUYMJOTO-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

5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
4,6-dibromo-2-methylindazole-5-carbaldehyde
CID 170750730
4,6-difluoro-2-methylindazole-5-carbaldehyde
CID 162382115
4-(3-tert-butyl-1-methylpyrazol-4-yl)-3-chlorobenzaldehyde
CID 114076972
5-bromo-4-chloro-2-methylindazole;4-chloro-2-methylindazole-5-carbaldehyde
CID 167692123
(8E)-5-chloro-8-ethylidene-2-methyl-6,7-dihydrocyclopenta[e]indazole;methanamine
CID 143720913
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684
5-chloro-2-methylindazole-4-carboxylic acid
CID 105464530
3-chloro-5-methoxy-4-trimethylsilyloxybenzaldehyde
CID 167716711
(4-chloro-1-methylpyrazol-3-yl) formate
CID 174370828
7-methoxy-2-methylindazole-5-carbaldehyde
CID 117110214
6-chloro-2,5-dimethylindazole
CID 171662405

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylindazole-6-carbaldehyde?
The IUPAC name of 4-chloro-2-methylindazole-6-carbaldehyde (CID 117110203) is 4-chloro-2-methylindazole-6-carbaldehyde.
What is the SMILES notation for 4-chloro-2-methylindazole-6-carbaldehyde?
The canonical SMILES for 4-chloro-2-methylindazole-6-carbaldehyde is Cn1cc2c(Cl)cc(C=O)cc2n1.
What is the InChIKey of 4-chloro-2-methylindazole-6-carbaldehyde?
The InChIKey is ZQIYQJTUYMJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-12-4-7-8(10)2-6(5-13)3-9(7)11-12/h2-5H,1H3.
What are the key properties of 4-chloro-2-methylindazole-6-carbaldehyde?
4-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 4-chloro-2-methylindazole-6-carbaldehyde is sourced from PubChem (CID 117110203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).