5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid

C17H15F2NO4 — CID 134363732

IUPAC5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
SMILESCOCC1CCc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O1
InChIInChI=1S/C17H15F2NO4/c1-23-8-10-3-5-12-13(11-4-2-9(18)6-14(11)19)7-15(17(21)22)20-16(12)24-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,21,22)
InChIKeyWANCRFSBBQVCSB-UHFFFAOYSA-N
MW335.31 g/mol
LogP3.07
Rot. Bonds4

About 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid

5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid (PubChem CID 134363732) has the molecular formula C17H15F2NO4 and a molecular weight of 335.31 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
PubChem CID134363732
Molecular FormulaC17H15F2NO4
Molecular Weight335.31 g/mol
Exact Mass335.10
IUPAC Name5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
SMILESCOCC1CCc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O1
InChIInChI=1S/C17H15F2NO4/c1-23-8-10-3-5-12-13(11-4-2-9(18)6-14(11)19)7-15(17(21)22)20-16(12)24-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,21,22)
InChIKeyWANCRFSBBQVCSB-UHFFFAOYSA-N
XLogP3.07
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The IUPAC name of 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid (CID 134363732) is 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid is COCC1CCc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O1.
What is the InChIKey of 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The InChIKey is WANCRFSBBQVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4/c1-23-8-10-3-5-12-13(11-4-2-9(18)6-14(11)19)7-15(17(21)22)20-16(12)24-10/h2,4,6-7,10H,3,5,8H2,1H3,(H,21,22).
What are the key properties of 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid has a molecular weight of 335.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 134363732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).