2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid

C13H9ClN2O2 — CID 21362668

IUPAC2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid
SMILESO=C(O)Cn1c2ccc(Cl)cc2c2ccncc21
InChIInChI=1S/C13H9ClN2O2/c14-8-1-2-11-10(5-8)9-3-4-15-6-12(9)16(11)7-13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyUKLXICSEUNEVRP-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.93
Rot. Bonds2

About 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid

2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid (PubChem CID 21362668) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid
PubChem CID21362668
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid
SMILESO=C(O)Cn1c2ccc(Cl)cc2c2ccncc21
InChIInChI=1S/C13H9ClN2O2/c14-8-1-2-11-10(5-8)9-3-4-15-6-12(9)16(11)7-13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyUKLXICSEUNEVRP-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid?
The IUPAC name of 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid (CID 21362668) is 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid.
What is the SMILES notation for 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid?
The canonical SMILES for 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid is O=C(O)Cn1c2ccc(Cl)cc2c2ccncc21.
What is the InChIKey of 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid?
The InChIKey is UKLXICSEUNEVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-8-1-2-11-10(5-8)9-3-4-15-6-12(9)16(11)7-13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid?
2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid has a molecular weight of 260.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrido[3,4-b]indol-9-yl)acetic acid is sourced from PubChem (CID 21362668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).