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

C18H17F2NO3 — CID 134363700

IUPAC(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
SMILESCC(C)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O1
InChIInChI=1S/C18H17F2NO3/c1-9(2)16-6-5-12-13(11-4-3-10(19)7-14(11)20)8-15(18(22)23)21-17(12)24-16/h3-4,7-9,16H,5-6H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyHYZNCTWPJNGZFS-MRXNPFEDSA-N
MW333.33 g/mol
LogP4.07
Rot. Bonds3

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

(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid (PubChem CID 134363700) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
PubChem CID134363700
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid
SMILESCC(C)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O1
InChIInChI=1S/C18H17F2NO3/c1-9(2)16-6-5-12-13(11-4-3-10(19)7-14(11)20)8-15(18(22)23)21-17(12)24-16/h3-4,7-9,16H,5-6H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyHYZNCTWPJNGZFS-MRXNPFEDSA-N
XLogP4.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid (CID 134363700) is (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid.
What is the SMILES notation for (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The canonical SMILES for (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid is CC(C)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(=O)O)nc2O1.
What is the InChIKey of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
The InChIKey is HYZNCTWPJNGZFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-9(2)16-6-5-12-13(11-4-3-10(19)7-14(11)20)8-15(18(22)23)21-17(12)24-16/h3-4,7-9,16H,5-6H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid?
(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid has a molecular weight of 333.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 134363700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).