methyl 9H-pyrido[3,4-b]indole-1-carboxylate

C13H10N2O2 — CID 597266

IUPACmethyl 9H-pyrido[3,4-b]indole-1-carboxylate
SMILESCOC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3
InChIKeyFRNCTTUBAHKEBZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds1

About methyl 9H-pyrido[3,4-b]indole-1-carboxylate

methyl 9H-pyrido[3,4-b]indole-1-carboxylate (PubChem CID 597266) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is methyl 9H-pyrido[3,4-b]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 9H-pyrido[3,4-b]indole-1-carboxylate
PubChem CID597266
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Namemethyl 9H-pyrido[3,4-b]indole-1-carboxylate
SMILESCOC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3
InChIKeyFRNCTTUBAHKEBZ-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

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
Methyl indole-3-carboxylate
CID 589098
Harman-3-Carboxylic Acid
CID 5406157
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
SB 203186
CID 3272300
Nbbcc
CID 128618

Frequently Asked Questions

What is the IUPAC name of methyl 9H-pyrido[3,4-b]indole-1-carboxylate?
The IUPAC name of methyl 9H-pyrido[3,4-b]indole-1-carboxylate (CID 597266) is methyl 9H-pyrido[3,4-b]indole-1-carboxylate.
What is the SMILES notation for methyl 9H-pyrido[3,4-b]indole-1-carboxylate?
The canonical SMILES for methyl 9H-pyrido[3,4-b]indole-1-carboxylate is COC(=O)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of methyl 9H-pyrido[3,4-b]indole-1-carboxylate?
The InChIKey is FRNCTTUBAHKEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3.
What are the key properties of methyl 9H-pyrido[3,4-b]indole-1-carboxylate?
methyl 9H-pyrido[3,4-b]indole-1-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[3,4-b]indole-1-carboxylate is sourced from PubChem (CID 597266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).