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

C15H10ClF2NO3 — CID 134363706

IUPAC7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)C1CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1
InChIInChI=1S/C15H10ClF2NO3/c16-13-6-10(8-2-1-7(17)5-11(8)18)9-3-4-12(15(20)21)22-14(9)19-13/h1-2,5-6,12H,3-4H2,(H,20,21)
InChIKeyUAFWMRPBAFCEIC-UHFFFAOYSA-N
MW325.70 g/mol
LogP3.46
Rot. Bonds2

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

7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid (PubChem CID 134363706) has the molecular formula C15H10ClF2NO3 and a molecular weight of 325.70 g/mol. Its IUPAC name is 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid
PubChem CID134363706
Molecular FormulaC15H10ClF2NO3
Molecular Weight325.70 g/mol
Exact Mass325.03
IUPAC Name7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)C1CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1
InChIInChI=1S/C15H10ClF2NO3/c16-13-6-10(8-2-1-7(17)5-11(8)18)9-3-4-12(15(20)21)22-14(9)19-13/h1-2,5-6,12H,3-4H2,(H,20,21)
InChIKeyUAFWMRPBAFCEIC-UHFFFAOYSA-N
XLogP3.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid (CID 134363706) is 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid is O=C(O)C1CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1.
What is the InChIKey of 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is UAFWMRPBAFCEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO3/c16-13-6-10(8-2-1-7(17)5-11(8)18)9-3-4-12(15(20)21)22-14(9)19-13/h1-2,5-6,12H,3-4H2,(H,20,21).
What are the key properties of 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid?
7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 325.70 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 134363706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).