5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid

C15H9F2NO3 — CID 22320616

IUPAC5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cc3ccc(F)c(F)c3)cnc2o1
InChIInChI=1S/C15H9F2NO3/c16-11-2-1-8(5-12(11)17)3-9-4-10-6-13(15(19)20)21-14(10)18-7-9/h1-2,4-7H,3H2,(H,19,20)
InChIKeyPXTSMIYGRDKOTL-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.39
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid

5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22320616) has the molecular formula C15H9F2NO3 and a molecular weight of 289.24 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid
PubChem CID22320616
Molecular FormulaC15H9F2NO3
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Cc3ccc(F)c(F)c3)cnc2o1
InChIInChI=1S/C15H9F2NO3/c16-11-2-1-8(5-12(11)17)3-9-4-10-6-13(15(19)20)21-14(10)18-7-9/h1-2,4-7H,3H2,(H,19,20)
InChIKeyPXTSMIYGRDKOTL-UHFFFAOYSA-N
XLogP3.39
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid (CID 22320616) is 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2cc(Cc3ccc(F)c(F)c3)cnc2o1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is PXTSMIYGRDKOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO3/c16-11-2-1-8(5-12(11)17)3-9-4-10-6-13(15(19)20)21-14(10)18-7-9/h1-2,4-7H,3H2,(H,19,20).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid?
5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 289.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]furo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22320616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).