6-chloro-1,3-dimethylindazole-5-carbaldehyde

C10H9ClN2O — CID 117109823

IUPAC6-chloro-1,3-dimethylindazole-5-carbaldehyde
SMILESCc1nn(C)c2cc(Cl)c(C=O)cc12
InChIInChI=1S/C10H9ClN2O/c1-6-8-3-7(5-14)9(11)4-10(8)13(2)12-6/h3-5H,1-2H3
InChIKeyVAEOHZGDIKIVTQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.35
Rot. Bonds1

About 6-chloro-1,3-dimethylindazole-5-carbaldehyde

6-chloro-1,3-dimethylindazole-5-carbaldehyde (PubChem CID 117109823) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-1,3-dimethylindazole-5-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1,3-dimethylindazole-5-carbaldehyde
PubChem CID117109823
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name6-chloro-1,3-dimethylindazole-5-carbaldehyde
SMILESCc1nn(C)c2cc(Cl)c(C=O)cc12
InChIInChI=1S/C10H9ClN2O/c1-6-8-3-7(5-14)9(11)4-10(8)13(2)12-6/h3-5H,1-2H3
InChIKeyVAEOHZGDIKIVTQ-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.35
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-1,3-dimethylindazole-4-carbaldehyde
CID 117109564
6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83884178
5-chloro-2-methylindazole-6-carbaldehyde
CID 117110225
5-amino-1,3-dimethylindazole-6-carboxylic acid
CID 84722038
1,6-dimethylindazole-3-carbaldehyde
CID 20781370
4-chloro-1,3-dimethylpyrazole-5-carbaldehyde
CID 50896588
6-fluoro-1,3-dimethylindazole
CID 59514053
7-chloro-6-fluoro-1-methyl-4-oxoquinoline-3-carbaldehyde
CID 155389012
5-amino-1,3-dimethylindazole-6-carbonitrile
CID 131443365
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684
6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde;6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
CID 158784324

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethylindazole-5-carbaldehyde?
The IUPAC name of 6-chloro-1,3-dimethylindazole-5-carbaldehyde (CID 117109823) is 6-chloro-1,3-dimethylindazole-5-carbaldehyde.
What is the SMILES notation for 6-chloro-1,3-dimethylindazole-5-carbaldehyde?
The canonical SMILES for 6-chloro-1,3-dimethylindazole-5-carbaldehyde is Cc1nn(C)c2cc(Cl)c(C=O)cc12.
What is the InChIKey of 6-chloro-1,3-dimethylindazole-5-carbaldehyde?
The InChIKey is VAEOHZGDIKIVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-8-3-7(5-14)9(11)4-10(8)13(2)12-6/h3-5H,1-2H3.
What are the key properties of 6-chloro-1,3-dimethylindazole-5-carbaldehyde?
6-chloro-1,3-dimethylindazole-5-carbaldehyde has a molecular weight of 208.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,3-dimethylindazole-5-carbaldehyde is sourced from PubChem (CID 117109823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).