5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid

C12H12N2O3 — CID 115490683

IUPAC5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccco2)cn1
InChIInChI=1S/C12H12N2O3/c15-12(16)11-4-3-9(8-14-11)13-6-5-10-2-1-7-17-10/h1-4,7-8,13H,5-6H2,(H,15,16)
InChIKeyGUARGMPBOADLHW-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.03
Rot. Bonds5

About 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid

5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 115490683) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID115490683
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCc2ccco2)cn1
InChIInChI=1S/C12H12N2O3/c15-12(16)11-4-3-9(8-14-11)13-6-5-10-2-1-7-17-10/h1-4,7-8,13H,5-6H2,(H,15,16)
InChIKeyGUARGMPBOADLHW-UHFFFAOYSA-N
XLogP2.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
2-[2-(furan-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 80569145
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
CID 60631962
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
4-[2-(furan-2-yl)ethylamino]-2-(trifluoromethyl)benzoic acid
CID 62709632
5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 115490672
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
N-cyclohexyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109182916
N-butyl-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109180640
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid (CID 115490683) is 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid is O=C(O)c1ccc(NCCc2ccco2)cn1.
What is the InChIKey of 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is GUARGMPBOADLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(16)11-4-3-9(8-14-11)13-6-5-10-2-1-7-17-10/h1-4,7-8,13H,5-6H2,(H,15,16).
What are the key properties of 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid?
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).