ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate

C10H10N2O3 — CID 152705884

IUPACethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccn(O)c2nccc1-2
InChIInChI=1S/C10H10N2O3/c1-2-15-10(13)8-4-6-12(14)9-7(8)3-5-11-9/h3-6,14H,2H2,1H3
InChIKeyFIFWGJDKIDXMGP-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.40
Rot. Bonds2

About ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate

ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate (PubChem CID 152705884) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate
PubChem CID152705884
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccn(O)c2nccc1-2
InChIInChI=1S/C10H10N2O3/c1-2-15-10(13)8-4-6-12(14)9-7(8)3-5-11-9/h3-6,14H,2H2,1H3
InChIKeyFIFWGJDKIDXMGP-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
diethyl 2-chloropyridine-3,4-dicarboxylate
CID 86639619
ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
CID 90387563
ethyl 2-chloro-3-pyridin-4-ylpyridine-4-carboxylate
CID 46317836
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-(difluoromethyl)-1-ethylpyrrole-3-carboxylate
CID 126843952
ethyl 2-(difluoromethyl)-3-methylpyridine-4-carboxylate
CID 134683429
ethyl 3-bromo-2-methoxypyridine-4-carboxylate
CID 46311482
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylate
CID 118704262

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate (CID 152705884) is ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate is CCOC(=O)c1ccn(O)c2nccc1-2.
What is the InChIKey of ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate?
The InChIKey is FIFWGJDKIDXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-10(13)8-4-6-12(14)9-7(8)3-5-11-9/h3-6,14H,2H2,1H3.
What are the key properties of ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate?
ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxypyrrolo[2,3-b]pyridine-4-carboxylate is sourced from PubChem (CID 152705884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).