ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate

C15H15NO4 — CID 135012429

IUPACethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(O)c2ccccc2O)n1
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)12-8-5-7-11(16-12)14(18)10-6-3-4-9-13(10)17/h3-9,14,17-18H,2H2,1H3
InChIKeyIQAABWSGMWOECJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.05
Rot. Bonds4

About ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate

ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate (PubChem CID 135012429) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate
PubChem CID135012429
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(O)c2ccccc2O)n1
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)12-8-5-7-11(16-12)14(18)10-6-3-4-9-13(10)17/h3-9,14,17-18H,2H2,1H3
InChIKeyIQAABWSGMWOECJ-UHFFFAOYSA-N
XLogP2.05
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
4-(6-ethoxycarbonyl-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878354
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
CID 171864733
ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate
CID 162531782
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylate
CID 171885520
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
diethoxymethoxyethane;ethyl 6-(diethoxymethyl)pyridine-2-carboxylate;ethyl 6-formylpyridine-2-carboxylate
CID 162141266
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl pyridine-2-carboxylate
CID 17307

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate (CID 135012429) is ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(C(O)c2ccccc2O)n1.
What is the InChIKey of ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
The InChIKey is IQAABWSGMWOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-20-15(19)12-8-5-7-11(16-12)14(18)10-6-3-4-9-13(10)17/h3-9,14,17-18H,2H2,1H3.
What are the key properties of ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate?
ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 135012429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).