methyl 9H-pyrido[2,3-b]indole-3-carboxylate

C13H10N2O2 — CID 127028724

IUPACmethyl 9H-pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H10N2O2/c1-17-13(16)8-6-10-9-4-2-3-5-11(9)15-12(10)14-7-8/h2-7H,1H3,(H,14,15)
InChIKeyVJAUIOGKHDAWEP-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds1

About methyl 9H-pyrido[2,3-b]indole-3-carboxylate

methyl 9H-pyrido[2,3-b]indole-3-carboxylate (PubChem CID 127028724) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 9H-pyrido[2,3-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9H-pyrido[2,3-b]indole-3-carboxylate
PubChem CID127028724
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Namemethyl 9H-pyrido[2,3-b]indole-3-carboxylate
SMILESCOC(=O)c1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/C13H10N2O2/c1-17-13(16)8-6-10-9-4-2-3-5-11(9)15-12(10)14-7-8/h2-7H,1H3,(H,14,15)
InChIKeyVJAUIOGKHDAWEP-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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Frequently Asked Questions

What is the IUPAC name of methyl 9H-pyrido[2,3-b]indole-3-carboxylate?
The IUPAC name of methyl 9H-pyrido[2,3-b]indole-3-carboxylate (CID 127028724) is methyl 9H-pyrido[2,3-b]indole-3-carboxylate.
What is the SMILES notation for methyl 9H-pyrido[2,3-b]indole-3-carboxylate?
The canonical SMILES for methyl 9H-pyrido[2,3-b]indole-3-carboxylate is COC(=O)c1cnc2[nH]c3ccccc3c2c1.
What is the InChIKey of methyl 9H-pyrido[2,3-b]indole-3-carboxylate?
The InChIKey is VJAUIOGKHDAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)8-6-10-9-4-2-3-5-11(9)15-12(10)14-7-8/h2-7H,1H3,(H,14,15).
What are the key properties of methyl 9H-pyrido[2,3-b]indole-3-carboxylate?
methyl 9H-pyrido[2,3-b]indole-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 9H-pyrido[2,3-b]indole-3-carboxylate is sourced from PubChem (CID 127028724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).