1H-pyrido[4,3-b]indole-4-carboxylic acid

C12H8N2O2 — CID 162467623

IUPAC1H-pyrido[4,3-b]indole-4-carboxylic acid
SMILESO=C(O)C1=C2N=c3ccccc3=C2CN=C1
InChIInChI=1S/C12H8N2O2/c15-12(16)9-6-13-5-8-7-3-1-2-4-10(7)14-11(8)9/h1-4,6H,5H2,(H,15,16)
InChIKeyMCQDREOPKZAUFK-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.11
Rot. Bonds1

About 1H-pyrido[4,3-b]indole-4-carboxylic acid

1H-pyrido[4,3-b]indole-4-carboxylic acid (PubChem CID 162467623) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1H-pyrido[4,3-b]indole-4-carboxylic acid.

Molecular Properties

Compound Name1H-pyrido[4,3-b]indole-4-carboxylic acid
PubChem CID162467623
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name1H-pyrido[4,3-b]indole-4-carboxylic acid
SMILESO=C(O)C1=C2N=c3ccccc3=C2CN=C1
InChIInChI=1S/C12H8N2O2/c15-12(16)9-6-13-5-8-7-3-1-2-4-10(7)14-11(8)9/h1-4,6H,5H2,(H,15,16)
InChIKeyMCQDREOPKZAUFK-UHFFFAOYSA-N
XLogP-0.11
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[4,3-b]indole-4-carboxylic acid?
The IUPAC name of 1H-pyrido[4,3-b]indole-4-carboxylic acid (CID 162467623) is 1H-pyrido[4,3-b]indole-4-carboxylic acid.
What is the SMILES notation for 1H-pyrido[4,3-b]indole-4-carboxylic acid?
The canonical SMILES for 1H-pyrido[4,3-b]indole-4-carboxylic acid is O=C(O)C1=C2N=c3ccccc3=C2CN=C1.
What is the InChIKey of 1H-pyrido[4,3-b]indole-4-carboxylic acid?
The InChIKey is MCQDREOPKZAUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12(16)9-6-13-5-8-7-3-1-2-4-10(7)14-11(8)9/h1-4,6H,5H2,(H,15,16).
What are the key properties of 1H-pyrido[4,3-b]indole-4-carboxylic acid?
1H-pyrido[4,3-b]indole-4-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[4,3-b]indole-4-carboxylic acid is sourced from PubChem (CID 162467623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).