2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid

C17H9FN2O3 — CID 70821245

IUPAC2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)c(F)cn2)ccc1-c1ccoc1
InChIInChI=1S/C17H9FN2O3/c18-15-8-20-16(6-14(15)17(21)22)10-1-2-13(12(5-10)7-19)11-3-4-23-9-11/h1-6,8-9H,(H,21,22)
InChIKeyGNJGOIVVWSDIOV-UHFFFAOYSA-N
MW308.27 g/mol
LogP3.72
Rot. Bonds3

About 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid

2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid (PubChem CID 70821245) has the molecular formula C17H9FN2O3 and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid
PubChem CID70821245
Molecular FormulaC17H9FN2O3
Molecular Weight308.27 g/mol
Exact Mass308.06
IUPAC Name2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid
SMILESN#Cc1cc(-c2cc(C(=O)O)c(F)cn2)ccc1-c1ccoc1
InChIInChI=1S/C17H9FN2O3/c18-15-8-20-16(6-14(15)17(21)22)10-1-2-13(12(5-10)7-19)11-3-4-23-9-11/h1-6,8-9H,(H,21,22)
InChIKeyGNJGOIVVWSDIOV-UHFFFAOYSA-N
XLogP3.72
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid (CID 70821245) is 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid is N#Cc1cc(-c2cc(C(=O)O)c(F)cn2)ccc1-c1ccoc1.
What is the InChIKey of 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid?
The InChIKey is GNJGOIVVWSDIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O3/c18-15-8-20-16(6-14(15)17(21)22)10-1-2-13(12(5-10)7-19)11-3-4-23-9-11/h1-6,8-9H,(H,21,22).
What are the key properties of 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid?
2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid has a molecular weight of 308.27 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-4-(furan-3-yl)phenyl]-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 70821245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).