methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate

C22H19NO6 — CID 170155080

IUPACmethyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cccc(OCc3ccc(OC)cc3)c2C=O)c1
InChIInChI=1S/C22H19NO6/c1-26-17-8-6-15(7-9-17)14-28-19-4-3-5-20(18(19)13-24)29-21-12-16(10-11-23-21)22(25)27-2/h3-13H,14H2,1-2H3
InChIKeyKTQGSRUCGFLYOI-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.06
Rot. Bonds8

About methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate

methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate (PubChem CID 170155080) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate
PubChem CID170155080
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Namemethyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Oc2cccc(OCc3ccc(OC)cc3)c2C=O)c1
InChIInChI=1S/C22H19NO6/c1-26-17-8-6-15(7-9-17)14-28-19-4-3-5-20(18(19)13-24)29-21-12-16(10-11-23-21)22(25)27-2/h3-13H,14H2,1-2H3
InChIKeyKTQGSRUCGFLYOI-UHFFFAOYSA-N
XLogP4.06
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-cyano-5-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]benzoate
CID 170156114
methyl 2-[1-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenyl]pyrazol-3-yl]pyridine-4-carboxylate
CID 172541855
methyl 2-(3-formamidophenoxy)pyridine-4-carboxylate
CID 168652704
methyl 4-amino-3-[(4-methoxyphenyl)methoxy]benzoate
CID 43380178
methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 171484206
methyl 2-(2-chloro-4-formylphenoxy)pyridine-4-carboxylate
CID 71668878
2-(4-methoxyphenyl)-6-phenylmethoxybenzaldehyde
CID 172993953
8-[(4-methoxycarbonylphenyl)methoxy]naphthalene-1-sulfonic acid
CID 89239519
methyl 4-[(7-formyl-2H-indazol-6-yl)oxymethyl]benzoate
CID 136970114
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
2-[[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]-N-[1-(2-hydroxy-2-methylpropyl)-6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-2-yl]pyridine-4-carboxamide
CID 170171315
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate (CID 170155080) is methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate is COC(=O)c1ccnc(Oc2cccc(OCc3ccc(OC)cc3)c2C=O)c1.
What is the InChIKey of methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate?
The InChIKey is KTQGSRUCGFLYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-26-17-8-6-15(7-9-17)14-28-19-4-3-5-20(18(19)13-24)29-21-12-16(10-11-23-21)22(25)27-2/h3-13H,14H2,1-2H3.
What are the key properties of methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate?
methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate has a molecular weight of 393.40 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-formyl-3-[(4-methoxyphenyl)methoxy]phenoxy]pyridine-4-carboxylate is sourced from PubChem (CID 170155080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).