methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C10H12N2O3 — CID 167714378

IUPACmethyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1)CC(CO)N2
InChIInChI=1S/C10H12N2O3/c1-15-10(14)7-2-6-3-8(5-13)12-9(6)11-4-7/h2,4,8,13H,3,5H2,1H3,(H,11,12)
InChIKeyFUVVSYQIRMSNAX-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.20
Rot. Bonds2

About methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 167714378) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID167714378
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1)CC(CO)N2
InChIInChI=1S/C10H12N2O3/c1-15-10(14)7-2-6-3-8(5-13)12-9(6)11-4-7/h2,4,8,13H,3,5H2,1H3,(H,11,12)
InChIKeyFUVVSYQIRMSNAX-UHFFFAOYSA-N
XLogP0.20
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
methyl (7S)-7-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylate
CID 118274912
methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate
CID 58066007
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
methyl 6-amino-5-[(1S,2S)-2-methylcyclopentyl]oxypyridine-3-carboxylate
CID 158116038
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl (2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carboxylate
CID 146430139
methyl (7S)-8-ethyl-7-methyl-6-oxo-5,7-dihydro-1,8-naphthyridine-3-carboxylate
CID 58324480
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-nitropyridine-3-carboxylate
CID 168662345
methyl 6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylate
CID 168662305
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 167714378) is methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(c1)CC(CO)N2.
What is the InChIKey of methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is FUVVSYQIRMSNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-10(14)7-2-6-3-8(5-13)12-9(6)11-4-7/h2,4,8,13H,3,5H2,1H3,(H,11,12).
What are the key properties of methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 167714378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).