ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

C10H11N3O2 — CID 123135469

IUPACethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ncc(N)cc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)9-4-7-8(13-9)3-6(11)5-12-7/h3-5,13H,2,11H2,1H3
InChIKeyJMLQYRIUXWWSOG-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.32
Rot. Bonds2

About ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 123135469) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID123135469
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2ncc(N)cc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-2-15-10(14)9-4-7-8(13-9)3-6(11)5-12-7/h3-5,13H,2,11H2,1H3
InChIKeyJMLQYRIUXWWSOG-UHFFFAOYSA-N
XLogP1.32
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
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CID 12575837
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
6-ethyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 105444098
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 7-amino-1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14268640
ethyl 5-(4-aminophenyl)sulfanyl-1H-indole-2-carboxylate
CID 10247192
ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
CID 117272940
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
ethyl 2-acetyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 125472108
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CID 123135469) is ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is CCOC(=O)c1cc2ncc(N)cc2[nH]1.
What is the InChIKey of ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is JMLQYRIUXWWSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-15-10(14)9-4-7-8(13-9)3-6(11)5-12-7/h3-5,13H,2,11H2,1H3.
What are the key properties of ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 123135469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).