2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid

C10H11FN2O2 — CID 170487315

IUPAC2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid
SMILESNCCC=Cc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H11FN2O2/c11-9-7(10(14)15)4-6-13-8(9)3-1-2-5-12/h1,3-4,6H,2,5,12H2,(H,14,15)
InChIKeyOUYHJNNXGFEHGC-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid

2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid (PubChem CID 170487315) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid
PubChem CID170487315
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid
SMILESNCCC=Cc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H11FN2O2/c11-9-7(10(14)15)4-6-13-8(9)3-1-2-5-12/h1,3-4,6H,2,5,12H2,(H,14,15)
InChIKeyOUYHJNNXGFEHGC-UHFFFAOYSA-N
XLogP1.28
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
CID 170483944
3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid
CID 169479279
3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
CID 105379985
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluoropyridine-4-carboxylic acid
CID 105382801
2-(4-aminobut-1-enyl)-5-chlorobenzoic acid
CID 170487176
3-(4-aminobut-1-enyl)-5-fluorobenzoic acid
CID 170487170
2-(4-aminobut-1-enyl)terephthalic acid
CID 170487722
(E)-3-[4-(4-aminobut-1-enyl)phenyl]prop-2-enoic acid
CID 170487446
2-(4-aminobut-1-enyl)pyridin-3-amine
CID 170486446
2-(4-aminobut-1-enyl)-5-bromobenzoic acid
CID 170487997
3-fluoro-2-propylsulfanylpyridine-4-carboxylic acid
CID 105382776
5-(4-aminobut-1-enyl)-1H-indole-3-carboxylic acid
CID 170487699

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid (CID 170487315) is 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid is NCCC=Cc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is OUYHJNNXGFEHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-9-7(10(14)15)4-6-13-8(9)3-1-2-5-12/h1,3-4,6H,2,5,12H2,(H,14,15).
What are the key properties of 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid?
2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 170487315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).