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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Related Compounds

2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979
9-[(4-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321459
7,9-dichloropyrido[3,4-b]indole
CID 22185235
9-[(3-chlorophenyl)methyl]pyrido[3,4-b]indole
CID 141321511
2-[5-chloro-3-(7-chloroquinolin-4-yl)-2-(methylsulfonylmethyl)indol-1-yl]acetic acid
CID 66651945
2-[5-chloro-2-methyl-3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67151302
4-(3-chloro-6-methylcarbazol-9-yl)butanoic acid
CID 118697828
N-[(3-chlorophenyl)methyl]-9-ethylpyrido[3,4-b]indole-7-carboxamide
CID 121363768
2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
CID 10407275
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-one
CID 69283365
2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
CID 154125562
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746

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).