ethyl 3-chloro-2H-indazole-6-carboxylate

C10H9ClN2O2 — CID 131699852

IUPACethyl 3-chloro-2H-indazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-3-4-7-8(5-6)12-13-9(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeySPFBOLGBOKYJEZ-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.39
Rot. Bonds2

About ethyl 3-chloro-2H-indazole-6-carboxylate

ethyl 3-chloro-2H-indazole-6-carboxylate (PubChem CID 131699852) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is ethyl 3-chloro-2H-indazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-2H-indazole-6-carboxylate
PubChem CID131699852
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Nameethyl 3-chloro-2H-indazole-6-carboxylate
SMILESCCOC(=O)c1ccc2c(Cl)[nH]nc2c1
InChIInChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-3-4-7-8(5-6)12-13-9(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeySPFBOLGBOKYJEZ-UHFFFAOYSA-N
XLogP2.39
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-chloro-2H-indazole-6-carboxylate 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

ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
3-amino-1-(3-chloro-2H-indazol-6-yl)propan-1-one
CID 117320937
ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 2-chloroquinoline-7-carboxylate
CID 72942632
methyl 3-methyl-2H-indazole-6-carboxylate
CID 22387979
ethyl 3-[(E)-2-(2,4-dimethylphenyl)ethenyl]-2H-indazole-5-carboxylate
CID 163472761
1-(3-chloro-2H-indazol-5-yl)ethanone
CID 69031597
ethyl 1,4-dichloroisoquinoline-7-carboxylate
CID 18698389
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637
ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate
CID 50877377
ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 3-benzyl-2,4-dichloroquinoline-6-carboxylate
CID 90101722

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-2H-indazole-6-carboxylate?
The IUPAC name of ethyl 3-chloro-2H-indazole-6-carboxylate (CID 131699852) is ethyl 3-chloro-2H-indazole-6-carboxylate.
What is the SMILES notation for ethyl 3-chloro-2H-indazole-6-carboxylate?
The canonical SMILES for ethyl 3-chloro-2H-indazole-6-carboxylate is CCOC(=O)c1ccc2c(Cl)[nH]nc2c1.
What is the InChIKey of ethyl 3-chloro-2H-indazole-6-carboxylate?
The InChIKey is SPFBOLGBOKYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-15-10(14)6-3-4-7-8(5-6)12-13-9(7)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 3-chloro-2H-indazole-6-carboxylate?
ethyl 3-chloro-2H-indazole-6-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-2H-indazole-6-carboxylate is sourced from PubChem (CID 131699852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).