5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid

C16H9F2NO3 — CID 66990743

IUPAC5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3cc(F)cc(F)c3)cn2)o1
InChIInChI=1S/C16H9F2NO3/c17-11-5-10(6-12(18)7-11)9-1-2-13(19-8-9)14-3-4-15(22-14)16(20)21/h1-8H,(H,20,21)
InChIKeyZOAZKICGPAKHOU-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.98
Rot. Bonds3

About 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid

5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid (PubChem CID 66990743) has the molecular formula C16H9F2NO3 and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid
PubChem CID66990743
Molecular FormulaC16H9F2NO3
Molecular Weight301.25 g/mol
Exact Mass301.06
IUPAC Name5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccc(-c3cc(F)cc(F)c3)cn2)o1
InChIInChI=1S/C16H9F2NO3/c17-11-5-10(6-12(18)7-11)9-1-2-13(19-8-9)14-3-4-15(22-14)16(20)21/h1-8H,(H,20,21)
InChIKeyZOAZKICGPAKHOU-UHFFFAOYSA-N
XLogP3.98
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid?
The IUPAC name of 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid (CID 66990743) is 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid is O=C(O)c1ccc(-c2ccc(-c3cc(F)cc(F)c3)cn2)o1.
What is the InChIKey of 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid?
The InChIKey is ZOAZKICGPAKHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO3/c17-11-5-10(6-12(18)7-11)9-1-2-13(19-8-9)14-3-4-15(22-14)16(20)21/h1-8H,(H,20,21).
What are the key properties of 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid?
5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-difluorophenyl)-2-pyridinyl]furan-2-carboxylic acid is sourced from PubChem (CID 66990743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).