(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid

C18H15F4NO4 — CID 134363716

IUPAC(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
SMILESC[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O[C@H]1COC(F)F
InChIInChI=1S/C18H15F4NO4/c1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(17(24)25)23-16(12)27-15(8)7-26-18(21)22/h2-3,5-6,8,15,18H,4,7H2,1H3,(H,24,25)/t8-,15-/m0/s1
InChIKeyVKOXACXOTPLCJA-AYVTZFPOSA-N
MW385.31 g/mol
LogP3.90
Rot. Bonds5

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

(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid (PubChem CID 134363716) has the molecular formula C18H15F4NO4 and a molecular weight of 385.31 g/mol. Its IUPAC name is (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
PubChem CID134363716
Molecular FormulaC18H15F4NO4
Molecular Weight385.31 g/mol
Exact Mass385.09
IUPAC Name(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
SMILESC[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O[C@H]1COC(F)F
InChIInChI=1S/C18H15F4NO4/c1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(17(24)25)23-16(12)27-15(8)7-26-18(21)22/h2-3,5-6,8,15,18H,4,7H2,1H3,(H,24,25)/t8-,15-/m0/s1
InChIKeyVKOXACXOTPLCJA-AYVTZFPOSA-N
XLogP3.90
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The IUPAC name of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid (CID 134363716) is (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The canonical SMILES for (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid is C[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O[C@H]1COC(F)F.
What is the InChIKey of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The InChIKey is VKOXACXOTPLCJA-AYVTZFPOSA-N. The full InChI is InChI=1S/C18H15F4NO4/c1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(17(24)25)23-16(12)27-15(8)7-26-18(21)22/h2-3,5-6,8,15,18H,4,7H2,1H3,(H,24,25)/t8-,15-/m0/s1.
What are the key properties of (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
(2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid has a molecular weight of 385.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 134363716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).