Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate

C10H10N2O2 — CID 21868741

IUPACethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CC2=C(N1)N=CC=C2
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCBIVEMGUNRNUEB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.90
Rot. Bonds3

About Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate

Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate (PubChem CID 21868741) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound NameEthyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate
PubChem CID21868741
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CC2=C(N1)N=CC=C2
InChIInChI=1S/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCBIVEMGUNRNUEB-UHFFFAOYSA-N
XLogP1.90
TPSA55.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity220

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 21110084
Ethyl 1H-pyrrolo(2,3-b)pyridine-4-carboxylate
CID 56773892
ethyl 7-methyl-5H-pyrrolo[2,3-b]pyrazine-6-carboxylate
CID 44307094
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
methyl 5-[[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903460
1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 7144623
Ethyl 5-(1-Methyl-1h-Imidazol-5-Yl)-1h-Indole-2-Carboxylate
CID 56850408
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2550328
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528
ethyl 4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57394913
Benzyl 4-(4-acetamidophenyl)-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 127046639
Benzyl 7-methyl-4-[4-(propanoylamino)phenyl]pyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 127046798

Frequently Asked Questions

What is the IUPAC name of Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate?
The IUPAC name of Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate (CID 21868741) is ethyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate?
The canonical SMILES for Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate is CCOC(=O)C1=CC2=C(N1)N=CC=C2.
What is the InChIKey of Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate?
The InChIKey is CBIVEMGUNRNUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-14-10(13)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate?
Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 1H-pyrrolo(2,3-b)pyridine-2-carboxylate is sourced from PubChem (CID 21868741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).