methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate

C13H10N2O3 — CID 12789153

IUPACmethyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c(cn1)[nH]c1ccc(O)cc12
InChIInChI=1S/C13H10N2O3/c1-18-13(17)11-5-9-8-4-7(16)2-3-10(8)15-12(9)6-14-11/h2-6,15-16H,1H3
InChIKeyUULFOYXSWNADTF-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.21
Rot. Bonds1

About methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate

methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 12789153) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID12789153
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Namemethyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c(cn1)[nH]c1ccc(O)cc12
InChIInChI=1S/C13H10N2O3/c1-18-13(17)11-5-9-8-4-7(16)2-3-10(8)15-12(9)6-14-11/h2-6,15-16H,1H3
InChIKeyUULFOYXSWNADTF-UHFFFAOYSA-N
XLogP2.21
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate (CID 12789153) is methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c(cn1)[nH]c1ccc(O)cc12.
What is the InChIKey of methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is UULFOYXSWNADTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-18-13(17)11-5-9-8-4-7(16)2-3-10(8)15-12(9)6-14-11/h2-6,15-16H,1H3.
What are the key properties of methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 12789153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).