methyl 2H-benzo[g]indazole-3-carboxylate

C13H10N2O2 — CID 141005512

IUPACmethyl 2H-benzo[g]indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c1ccc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)12-10-7-6-8-4-2-3-5-9(8)11(10)14-15-12/h2-7H,1H3,(H,14,15)
InChIKeyOCGDGQHWIBPSEZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds1

About methyl 2H-benzo[g]indazole-3-carboxylate

methyl 2H-benzo[g]indazole-3-carboxylate (PubChem CID 141005512) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 2H-benzo[g]indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2H-benzo[g]indazole-3-carboxylate
PubChem CID141005512
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Namemethyl 2H-benzo[g]indazole-3-carboxylate
SMILESCOC(=O)c1[nH]nc2c1ccc1ccccc12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)12-10-7-6-8-4-2-3-5-9(8)11(10)14-15-12/h2-7H,1H3,(H,14,15)
InChIKeyOCGDGQHWIBPSEZ-UHFFFAOYSA-N
XLogP2.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7-(aminomethyl)-2H-indazole-3-carboxylate
CID 84778319
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl benzo[e][1,3]benzoxazole-2-carboxylate
CID 83387453
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
dimethyl (E)-2-[(3-methoxycarbonyl-2H-indazol-7-yl)amino]but-2-enedioate
CID 168566839
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
methyl 7-formyl-5-(2-phenylethynyl)-2H-indazole-3-carboxylate
CID 87575200
N-benzo[h]quinolin-4-yl-2-methoxyacetamide
CID 46308038
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226

Frequently Asked Questions

What is the IUPAC name of methyl 2H-benzo[g]indazole-3-carboxylate?
The IUPAC name of methyl 2H-benzo[g]indazole-3-carboxylate (CID 141005512) is methyl 2H-benzo[g]indazole-3-carboxylate.
What is the SMILES notation for methyl 2H-benzo[g]indazole-3-carboxylate?
The canonical SMILES for methyl 2H-benzo[g]indazole-3-carboxylate is COC(=O)c1[nH]nc2c1ccc1ccccc12.
What is the InChIKey of methyl 2H-benzo[g]indazole-3-carboxylate?
The InChIKey is OCGDGQHWIBPSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)12-10-7-6-8-4-2-3-5-9(8)11(10)14-15-12/h2-7H,1H3,(H,14,15).
What are the key properties of methyl 2H-benzo[g]indazole-3-carboxylate?
methyl 2H-benzo[g]indazole-3-carboxylate has a molecular weight of 226.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-benzo[g]indazole-3-carboxylate is sourced from PubChem (CID 141005512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).