3-cyano-2-methylindazole-5-carboxylic acid;ethane

C12H13N3O2 — CID 170759805

IUPAC3-cyano-2-methylindazole-5-carboxylic acid;ethane
SMILESCC.Cn1nc2ccc(C(=O)O)cc2c1C#N
InChIInChI=1S/C10H7N3O2.C2H6/c1-13-9(5-11)7-4-6(10(14)15)2-3-8(7)12-13;1-2/h2-4H,1H3,(H,14,15);1-2H3
InChIKeyKECBHYRPMLUPBF-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.17
Rot. Bonds1

About 3-cyano-2-methylindazole-5-carboxylic acid;ethane

3-cyano-2-methylindazole-5-carboxylic acid;ethane (PubChem CID 170759805) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-cyano-2-methylindazole-5-carboxylic acid;ethane.

Molecular Properties

Compound Name3-cyano-2-methylindazole-5-carboxylic acid;ethane
PubChem CID170759805
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-cyano-2-methylindazole-5-carboxylic acid;ethane
SMILESCC.Cn1nc2ccc(C(=O)O)cc2c1C#N
InChIInChI=1S/C10H7N3O2.C2H6/c1-13-9(5-11)7-4-6(10(14)15)2-3-8(7)12-13;1-2/h2-4H,1H3,(H,14,15);1-2H3
InChIKeyKECBHYRPMLUPBF-UHFFFAOYSA-N
XLogP2.17
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-2-methylindazole-5-carboxylic acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-methylindazole-5-carboxylic acid;ethane?
The IUPAC name of 3-cyano-2-methylindazole-5-carboxylic acid;ethane (CID 170759805) is 3-cyano-2-methylindazole-5-carboxylic acid;ethane.
What is the SMILES notation for 3-cyano-2-methylindazole-5-carboxylic acid;ethane?
The canonical SMILES for 3-cyano-2-methylindazole-5-carboxylic acid;ethane is CC.Cn1nc2ccc(C(=O)O)cc2c1C#N.
What is the InChIKey of 3-cyano-2-methylindazole-5-carboxylic acid;ethane?
The InChIKey is KECBHYRPMLUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2.C2H6/c1-13-9(5-11)7-4-6(10(14)15)2-3-8(7)12-13;1-2/h2-4H,1H3,(H,14,15);1-2H3.
What are the key properties of 3-cyano-2-methylindazole-5-carboxylic acid;ethane?
3-cyano-2-methylindazole-5-carboxylic acid;ethane has a molecular weight of 231.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-methylindazole-5-carboxylic acid;ethane is sourced from PubChem (CID 170759805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).