5-chloro-1,3-dimethylindazole-4-carbaldehyde

C10H9ClN2O — CID 117109564

IUPAC5-chloro-1,3-dimethylindazole-4-carbaldehyde
SMILESCc1nn(C)c2ccc(Cl)c(C=O)c12
InChIInChI=1S/C10H9ClN2O/c1-6-10-7(5-14)8(11)3-4-9(10)13(2)12-6/h3-5H,1-2H3
InChIKeyVNSLSFUKCTVEOE-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.35
Rot. Bonds1

About 5-chloro-1,3-dimethylindazole-4-carbaldehyde

5-chloro-1,3-dimethylindazole-4-carbaldehyde (PubChem CID 117109564) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylindazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1,3-dimethylindazole-4-carbaldehyde
PubChem CID117109564
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-chloro-1,3-dimethylindazole-4-carbaldehyde
SMILESCc1nn(C)c2ccc(Cl)c(C=O)c12
InChIInChI=1S/C10H9ClN2O/c1-6-10-7(5-14)8(11)3-4-9(10)13(2)12-6/h3-5H,1-2H3
InChIKeyVNSLSFUKCTVEOE-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

6-chloro-1,3-dimethylindazole-5-carbaldehyde
CID 117109823
5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 28951562
2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
CID 96601537
4-chloro-1,3-dimethylpyrazole-5-carbaldehyde
CID 50896588
5-(2-bromophenyl)sulfanyl-1,3-dimethylpyrazole-4-carbaldehyde
CID 63803725
3-(1,3-dimethylindazol-4-yl)butanal
CID 117308183
5-chloro-1,3-dimethylpyrazole-4-carbaldehyde;3,4-dichlorophenol;5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 160509617
1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
CID 155748773
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 87734412
1,3-dimethyl-4-propan-2-ylindazole;ethane
CID 144655945
2,6-dichlorobenzaldehyde;ethane
CID 90823593
5-chloro-3-(2-chloro-6-fluorophenyl)-1-methylpyrazole-4-carbaldehyde
CID 87405993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylindazole-4-carbaldehyde?
The IUPAC name of 5-chloro-1,3-dimethylindazole-4-carbaldehyde (CID 117109564) is 5-chloro-1,3-dimethylindazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-1,3-dimethylindazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-1,3-dimethylindazole-4-carbaldehyde is Cc1nn(C)c2ccc(Cl)c(C=O)c12.
What is the InChIKey of 5-chloro-1,3-dimethylindazole-4-carbaldehyde?
The InChIKey is VNSLSFUKCTVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-10-7(5-14)8(11)3-4-9(10)13(2)12-6/h3-5H,1-2H3.
What are the key properties of 5-chloro-1,3-dimethylindazole-4-carbaldehyde?
5-chloro-1,3-dimethylindazole-4-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 5-chloro-1,3-dimethylindazole-4-carbaldehyde is sourced from PubChem (CID 117109564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).