[7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane

C38H43ClF4N2O7 — CID 159375629

About [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane

[7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane (PubChem CID 159375629) has the molecular formula C38H43ClF4N2O7 and a molecular weight of 751.21 g/mol. Its IUPAC name is [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane.

Molecular Properties

• Compound Name: [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
• PubChem CID: 159375629
• Molecular Formula: C38H43ClF4N2O7
• Molecular Weight: 751.21 g/mol
• Exact Mass: 750.27
• IUPAC Name: [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane
• SMILES: C.CC1Cc2c(-c3ccc(F)cc3F)cc(Cl)nc2OC1CO.CCO.CCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)OC(CO)C(C)C2
• InChI: InChI=1S/C19H19F2NO4.C16H14ClF2NO2.C2H6O.CH4/c1-3-25-19(24)16-8-13(12-5-4-11(20)7-15(12)21)14-6-10(2)17(9-23)26-18(14)22-16;1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-15(17)20-16(12)22-14(8)7-21;1-2-3;/h4-5,7-8,10,17,23H,3,6,9H2,1-2H3;2-3,5-6,8,14,21H,4,7H2,1H3;3H,2H2,1H3;1H4
• InChIKey: LKGWFDQYQICZCN-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 131.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.21
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane?

The IUPAC name of [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane (CID 159375629) is [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane.

What is the SMILES notation for [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane?

The canonical SMILES for [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane is C.CC1Cc2c(-c3ccc(F)cc3F)cc(Cl)nc2OC1CO.CCO.CCOC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)OC(CO)C(C)C2.

What is the InChIKey of [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane?

The InChIKey is LKGWFDQYQICZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4.C16H14ClF2NO2.C2H6O.CH4/c1-3-25-19(24)16-8-13(12-5-4-11(20)7-15(12)21)14-6-10(2)17(9-23)26-18(14)22-16;1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-15(17)20-16(12)22-14(8)7-21;1-2-3;/h4-5,7-8,10,17,23H,3,6,9H2,1-2H3;2-3,5-6,8,14,21H,4,7H2,1H3;3H,2H2,1H3;1H4.

What are the key properties of [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane?

[7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane has a molecular weight of 751.21 g/mol, XLogP of 7.38, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [7-chloro-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methanol;ethanol;ethyl 5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylate;methane is sourced from PubChem (CID 159375629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).