methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate

C15H13NO5 — CID 139513796

IUPACmethyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2cccc(O)c2C=O)n1
InChIInChI=1S/C15H13NO5/c1-20-15(19)12-5-2-4-10(16-12)9-21-14-7-3-6-13(18)11(14)8-17/h2-8,18H,9H2,1H3
InChIKeyWHLYODSYZQQVCX-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.97
Rot. Bonds5

About methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate

methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate (PubChem CID 139513796) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
PubChem CID139513796
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Namemethyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2cccc(O)c2C=O)n1
InChIInChI=1S/C15H13NO5/c1-20-15(19)12-5-2-4-10(16-12)9-21-14-7-3-6-13(18)11(14)8-17/h2-8,18H,9H2,1H3
InChIKeyWHLYODSYZQQVCX-UHFFFAOYSA-N
XLogP1.97
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-[[methylsulfanyl(sulfanyl)methoxy]methyl]pyridine-2-carboxylate
CID 175489350
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[(4-butylphenoxy)methyl]pyridine-2-carboxylate
CID 143472467
methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
CID 155153757
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
1-methoxypropane;methyl 6-[(4-ethylphenoxy)methyl]pyridine-2-carboxylate
CID 143474444
2-hexoxy-6-hydroxybenzaldehyde
CID 153494115
2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde
CID 157251413
1-[6-(hydroxymethyl)-2-pyridinyl]ethanone;methyl 6-acetylpyridine-2-carboxylate
CID 161351278
methyl 6-[[2-[(6-methyl-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylate
CID 170119871

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate (CID 139513796) is methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(COc2cccc(O)c2C=O)n1.
What is the InChIKey of methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
The InChIKey is WHLYODSYZQQVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-20-15(19)12-5-2-4-10(16-12)9-21-14-7-3-6-13(18)11(14)8-17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate?
methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 139513796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).