ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

C11H12N2O3 — CID 12043936

IUPACethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2c(CO)c[nH]c2cn1
InChIInChI=1S/C11H12N2O3/c1-2-16-11(15)9-3-8-7(6-14)4-12-10(8)5-13-9/h3-5,12,14H,2,6H2,1H3
InChIKeyQHFCJCSJSXWHQM-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.23
Rot. Bonds3

About ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate (PubChem CID 12043936) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
PubChem CID12043936
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2c(CO)c[nH]c2cn1
InChIInChI=1S/C11H12N2O3/c1-2-16-11(15)9-3-8-7(6-14)4-12-10(8)5-13-9/h3-5,12,14H,2,6H2,1H3
InChIKeyQHFCJCSJSXWHQM-UHFFFAOYSA-N
XLogP1.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-3-(hydroxymethyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 86623138
ethyl 4,5-diethylpyridine-2-carboxylate
CID 144863109
ethyl 5-(1H-imidazol-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 70407125
ethyl 8-bromo-6-nitro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037335
ethyl 5-cyano-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037309
methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
CID 175290315
ethyl 2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 131699523
ethyl 7-nitro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037306
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
ethyl 1,3-dimethylpyrazolo[3,4-c]pyridine-5-carboxylate
CID 12529967
ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate;hydrobromide
CID 46907522
3-(phenylmethoxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 67838414

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate (CID 12043936) is ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate is CCOC(=O)c1cc2c(CO)c[nH]c2cn1.
What is the InChIKey of ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
The InChIKey is QHFCJCSJSXWHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-11(15)9-3-8-7(6-14)4-12-10(8)5-13-9/h3-5,12,14H,2,6H2,1H3.
What are the key properties of ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate?
ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 12043936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).