5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid

C10H10FNO3 — CID 127020351

IUPAC5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC=C(F)C2)o1
InChIInChI=1S/C10H10FNO3/c11-7-2-1-5-12(6-7)9-4-3-8(15-9)10(13)14/h2-4H,1,5-6H2,(H,13,14)
InChIKeyMNCVNTIUYHLSEJ-UHFFFAOYSA-N
MW211.19 g/mol
LogP2.04
Rot. Bonds2

About 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid

5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid (PubChem CID 127020351) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid
PubChem CID127020351
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC=C(F)C2)o1
InChIInChI=1S/C10H10FNO3/c11-7-2-1-5-12(6-7)9-4-3-8(15-9)10(13)14/h2-4H,1,5-6H2,(H,13,14)
InChIKeyMNCVNTIUYHLSEJ-UHFFFAOYSA-N
XLogP2.04
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid (CID 127020351) is 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid is O=C(O)c1ccc(N2CCC=C(F)C2)o1.
What is the InChIKey of 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid?
The InChIKey is MNCVNTIUYHLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-7-2-1-5-12(6-7)9-4-3-8(15-9)10(13)14/h2-4H,1,5-6H2,(H,13,14).
What are the key properties of 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid?
5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid has a molecular weight of 211.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 127020351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).