ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate

C14H16N2O3 — CID 70892117

IUPACethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cccn2C)cc(CO)n1
InChIInChI=1S/C14H16N2O3/c1-3-19-14(18)12-8-10(7-11(9-17)15-12)13-5-4-6-16(13)2/h4-8,17H,3,9H2,1-2H3
InChIKeyCECGNNUJTITDIK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.76
Rot. Bonds4

About ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate

ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate (PubChem CID 70892117) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate
PubChem CID70892117
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(-c2cccn2C)cc(CO)n1
InChIInChI=1S/C14H16N2O3/c1-3-19-14(18)12-8-10(7-11(9-17)15-12)13-5-4-6-16(13)2/h4-8,17H,3,9H2,1-2H3
InChIKeyCECGNNUJTITDIK-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
ethyl 2-(aminomethyl)-1-methylimidazole-4-carboxylate
CID 117272800
sodium;ethyl 6-(hydroxymethyl)pyridine-2-carboxylate;6-(hydroxymethyl)pyridine-2-carboxylic acid;methanol;hydroxide
CID 159405801
ethyl 6-[(1,3-dioxoisoindol-2-yl)methyl]-4-(4-methoxyphenyl)pyridine-2-carboxylate
CID 178053172
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethyl 2-[1,4-dimethyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]acetate
CID 70586914
diethyl 4-[5-[4-[5-[2,6-bis(ethoxycarbonyl)-4-pyridinyl]thiophen-2-yl]phenyl]thiophen-2-yl]pyridine-2,6-dicarboxylate
CID 102149888
(6-bromo-2-pyridinyl)methanol;ethyl 6-bromopyridine-2-carboxylate
CID 162039254
lithium;alumane;ethyl 6-methylpyridine-2-carboxylate;hydride;(6-methyl-2-pyridinyl)methanol
CID 158673964
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
5-ethoxycarbonyl-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 34179423

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate (CID 70892117) is ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate is CCOC(=O)c1cc(-c2cccn2C)cc(CO)n1.
What is the InChIKey of ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate?
The InChIKey is CECGNNUJTITDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-19-14(18)12-8-10(7-11(9-17)15-12)13-5-4-6-16(13)2/h4-8,17H,3,9H2,1-2H3.
What are the key properties of ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate?
ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(hydroxymethyl)-4-(1-methylpyrrol-2-yl)pyridine-2-carboxylate is sourced from PubChem (CID 70892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).