(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C16H12F4N2O2 — CID 134363833

IUPAC(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](C(F)F)CC2
InChIInChI=1S/C16H12F4N2O2/c17-7-1-2-8(11(18)5-7)10-6-12(15(21)23)22-16-9(10)3-4-13(24-16)14(19)20/h1-2,5-6,13-14H,3-4H2,(H2,21,23)/t13-/m1/s1
InChIKeyORCJOJBWARLEKN-CYBMUJFWSA-N
MW340.28 g/mol
LogP3.08
Rot. Bonds3

About (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363833) has the molecular formula C16H12F4N2O2 and a molecular weight of 340.28 g/mol. Its IUPAC name is (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363833
Molecular FormulaC16H12F4N2O2
Molecular Weight340.28 g/mol
Exact Mass340.08
IUPAC Name(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](C(F)F)CC2
InChIInChI=1S/C16H12F4N2O2/c17-7-1-2-8(11(18)5-7)10-6-12(15(21)23)22-16-9(10)3-4-13(24-16)14(19)20/h1-2,5-6,13-14H,3-4H2,(H2,21,23)/t13-/m1/s1
InChIKeyORCJOJBWARLEKN-CYBMUJFWSA-N
XLogP3.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363833) is (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](C(F)F)CC2.
What is the InChIKey of (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is ORCJOJBWARLEKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H12F4N2O2/c17-7-1-2-8(11(18)5-7)10-6-12(15(21)23)22-16-9(10)3-4-13(24-16)14(19)20/h1-2,5-6,13-14H,3-4H2,(H2,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 340.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).