2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid

C13H14FNO4 — CID 120822739

IUPAC2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC=C(F)C2)cc1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-2-10-9(13(17)18)6-11(19-10)12(16)15-5-3-4-8(14)7-15/h4,6H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyAIQVQKDQBROZDJ-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.24
Rot. Bonds3

About 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid

2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid (PubChem CID 120822739) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
PubChem CID120822739
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid
SMILESCCc1oc(C(=O)N2CCC=C(F)C2)cc1C(=O)O
InChIInChI=1S/C13H14FNO4/c1-2-10-9(13(17)18)6-11(19-10)12(16)15-5-3-4-8(14)7-15/h4,6H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyAIQVQKDQBROZDJ-UHFFFAOYSA-N
XLogP2.24
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120820566
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
CID 120822043
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]furan-3-carboxylic acid
CID 120821164
5-(6-bromo-8-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822744
2-ethyl-5-(4-ethylazepane-1-carbonyl)furan-3-carboxylic acid
CID 120822394
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822578
5-(3,5-dimethylmorpholine-4-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822008
5-[(6S)-2-azaspiro[5.5]undec-9-ene-2-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 129465623
2-ethyl-5-[4-(2-methylphenyl)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 120821717
5-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821324
5-(2,6-dimethylazepane-1-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120821924

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid (CID 120822739) is 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid is CCc1oc(C(=O)N2CCC=C(F)C2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid?
The InChIKey is AIQVQKDQBROZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-2-10-9(13(17)18)6-11(19-10)12(16)15-5-3-4-8(14)7-15/h4,6H,2-3,5,7H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid?
2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid has a molecular weight of 267.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)furan-3-carboxylic acid is sourced from PubChem (CID 120822739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).