ethyl 9H-pyrido[2,3-b]indole-8-carboxylate

C14H12N2O2 — CID 135002978

IUPACethyl 9H-pyrido[2,3-b]indole-8-carboxylate
SMILESCCOC(=O)c1cccc2c1[nH]c1ncccc12
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)11-6-3-5-9-10-7-4-8-15-13(10)16-12(9)11/h3-8H,2H2,1H3,(H,15,16)
InChIKeyLINRWDHGHUNACX-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.89
Rot. Bonds2

About ethyl 9H-pyrido[2,3-b]indole-8-carboxylate

ethyl 9H-pyrido[2,3-b]indole-8-carboxylate (PubChem CID 135002978) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 9H-pyrido[2,3-b]indole-8-carboxylate.

Molecular Properties

Compound Nameethyl 9H-pyrido[2,3-b]indole-8-carboxylate
PubChem CID135002978
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Nameethyl 9H-pyrido[2,3-b]indole-8-carboxylate
SMILESCCOC(=O)c1cccc2c1[nH]c1ncccc12
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)11-6-3-5-9-10-7-4-8-15-13(10)16-12(9)11/h3-8H,2H2,1H3,(H,15,16)
InChIKeyLINRWDHGHUNACX-UHFFFAOYSA-N
XLogP2.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
methyl 5-oxo-10H-benzo[b][1,8]naphthyridine-9-carboxylate
CID 10244019
ethyl 8-methoxy-9H-pyrido[2,3-b]indole-6-carboxylate
CID 135059817
ethyl 2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 905569
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 9H-pyrimido[4,5-b]indole-5-carboxylate
CID 175816766
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317

Frequently Asked Questions

What is the IUPAC name of ethyl 9H-pyrido[2,3-b]indole-8-carboxylate?
The IUPAC name of ethyl 9H-pyrido[2,3-b]indole-8-carboxylate (CID 135002978) is ethyl 9H-pyrido[2,3-b]indole-8-carboxylate.
What is the SMILES notation for ethyl 9H-pyrido[2,3-b]indole-8-carboxylate?
The canonical SMILES for ethyl 9H-pyrido[2,3-b]indole-8-carboxylate is CCOC(=O)c1cccc2c1[nH]c1ncccc12.
What is the InChIKey of ethyl 9H-pyrido[2,3-b]indole-8-carboxylate?
The InChIKey is LINRWDHGHUNACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-18-14(17)11-6-3-5-9-10-7-4-8-15-13(10)16-12(9)11/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 9H-pyrido[2,3-b]indole-8-carboxylate?
ethyl 9H-pyrido[2,3-b]indole-8-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9H-pyrido[2,3-b]indole-8-carboxylate is sourced from PubChem (CID 135002978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).