ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate

C15H14N2O3 — CID 117428854

IUPACethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)13(18)9-5-6-12-11(8-9)10-4-3-7-16-14(10)17-12/h3-8,13,18H,2H2,1H3,(H,16,17)
InChIKeyZFUGGCMETLSUMB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate

ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate (PubChem CID 117428854) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate
PubChem CID117428854
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate
SMILESCCOC(=O)C(O)c1ccc2[nH]c3ncccc3c2c1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)13(18)9-5-6-12-11(8-9)10-4-3-7-16-14(10)17-12/h3-8,13,18H,2H2,1H3,(H,16,17)
InChIKeyZFUGGCMETLSUMB-UHFFFAOYSA-N
XLogP2.31
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
2-(methylamino)-1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 115004279
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881
ethyl 2-hydroxy-2-(2-oxo-1H-quinoxalin-6-yl)acetate
CID 117372969
ethyl 2-(3-chloro-1H-indol-5-yl)-2-hydroxyacetate
CID 117387028
ethyl 2-hydroxy-2-(1-methoxyisoquinolin-7-yl)acetate
CID 117406965
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
ethyl 9H-pyrido[2,3-b]indole-8-carboxylate
CID 135002978
ethyl 2-hydroxy-2-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetate
CID 117378559
ethyl 2-(3-bromo-2H-indazol-5-yl)-2-hydroxyacetate
CID 117481547
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate (CID 117428854) is ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate is CCOC(=O)C(O)c1ccc2[nH]c3ncccc3c2c1.
What is the InChIKey of ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate?
The InChIKey is ZFUGGCMETLSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-15(19)13(18)9-5-6-12-11(8-9)10-4-3-7-16-14(10)17-12/h3-8,13,18H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate?
ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate has a molecular weight of 270.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(9H-pyrido[2,3-b]indol-6-yl)acetate is sourced from PubChem (CID 117428854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).