ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate

C10H10N2O2 — CID 11579250

IUPACethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ncccc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3
InChIKeyNOWHXIDXMNNYBL-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.74
Rot. Bonds2

About ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate

ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 11579250) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID11579250
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ncccc2[nH]1
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3
InChIKeyNOWHXIDXMNNYBL-UHFFFAOYSA-N
XLogP1.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
4-Methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041786
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 14151061
Ethyl 4-[2-(dimethylamino)-2-oxoethyl]-1-methylpyrrolo[3,2-b]pyrrole-5-carboxylate
CID 1438838
4-[2-(2,6-Dimethyl-1-piperidinyl)-2-oxoethyl]-1-methyl-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester
CID 3229405
1-methyl-1,6-dihydro-3H-furo[3',4':5,6]pyrido[3,4-b]indol-3-one
CID 10014421
methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795669

Frequently Asked Questions

What is the IUPAC name of ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CID 11579250) is ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1cc2ncccc2[nH]1.
What is the InChIKey of ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is NOWHXIDXMNNYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3.
What are the key properties of ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1H-pyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 11579250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).