5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid

C14H15NO3 — CID 112515837

IUPAC5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid
SMILESO=C(O)CC(CCc1ccco1)c1ccccn1
InChIInChI=1S/C14H15NO3/c16-14(17)10-11(13-5-1-2-8-15-13)6-7-12-4-3-9-18-12/h1-5,8-9,11H,6-7,10H2,(H,16,17)
InChIKeyNAZIGMAWFBPMKH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.87
Rot. Bonds6

About 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid

5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid (PubChem CID 112515837) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid
PubChem CID112515837
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid
SMILESO=C(O)CC(CCc1ccco1)c1ccccn1
InChIInChI=1S/C14H15NO3/c16-14(17)10-11(13-5-1-2-8-15-13)6-7-12-4-3-9-18-12/h1-5,8-9,11H,6-7,10H2,(H,16,17)
InChIKeyNAZIGMAWFBPMKH-UHFFFAOYSA-N
XLogP2.87
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid?
The IUPAC name of 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid (CID 112515837) is 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid.
What is the SMILES notation for 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid?
The canonical SMILES for 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid is O=C(O)CC(CCc1ccco1)c1ccccn1.
What is the InChIKey of 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid?
The InChIKey is NAZIGMAWFBPMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-14(17)10-11(13-5-1-2-8-15-13)6-7-12-4-3-9-18-12/h1-5,8-9,11H,6-7,10H2,(H,16,17).
What are the key properties of 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid?
5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-pyridin-2-ylpentanoic acid is sourced from PubChem (CID 112515837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).