ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate

C19H19F2NO4 — CID 134363759

IUPACethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)OC(C)(CO)CC2
InChIInChI=1S/C19H19F2NO4/c1-3-25-18(24)16-9-14(12-5-4-11(20)8-15(12)21)13-6-7-19(2,10-23)26-17(13)22-16/h4-5,8-9,23H,3,6-7,10H2,1-2H3
InChIKeyLUQGNPDUGBIWIB-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.28
Rot. Bonds4

About ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate

ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate (PubChem CID 134363759) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate
PubChem CID134363759
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Nameethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)OC(C)(CO)CC2
InChIInChI=1S/C19H19F2NO4/c1-3-25-18(24)16-9-14(12-5-4-11(20)8-15(12)21)13-6-7-19(2,10-23)26-17(13)22-16/h4-5,8-9,23H,3,6-7,10H2,1-2H3
InChIKeyLUQGNPDUGBIWIB-UHFFFAOYSA-N
XLogP3.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate (CID 134363759) is ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)OC(C)(CO)CC2.
What is the InChIKey of ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate?
The InChIKey is LUQGNPDUGBIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-3-25-18(24)16-9-14(12-5-4-11(20)8-15(12)21)13-6-7-19(2,10-23)26-17(13)22-16/h4-5,8-9,23H,3,6-7,10H2,1-2H3.
What are the key properties of ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate?
ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate has a molecular weight of 363.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-2-methyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxylate is sourced from PubChem (CID 134363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).