3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid

C10H8FNO4 — CID 169479279

IUPAC3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid
SMILESCOC(=O)C=Cc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H8FNO4/c1-16-8(13)3-2-7-9(11)6(10(14)15)4-5-12-7/h2-5H,1H3,(H,14,15)
InChIKeyLCRSZMICYRCIKK-UHFFFAOYSA-N
MW225.18 g/mol
LogP1.11
Rot. Bonds3

About 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid

3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid (PubChem CID 169479279) has the molecular formula C10H8FNO4 and a molecular weight of 225.18 g/mol. Its IUPAC name is 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid
PubChem CID169479279
Molecular FormulaC10H8FNO4
Molecular Weight225.18 g/mol
Exact Mass225.04
IUPAC Name3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid
SMILESCOC(=O)C=Cc1nccc(C(=O)O)c1F
InChIInChI=1S/C10H8FNO4/c1-16-8(13)3-2-7-9(11)6(10(14)15)4-5-12-7/h2-5H,1H3,(H,14,15)
InChIKeyLCRSZMICYRCIKK-UHFFFAOYSA-N
XLogP1.11
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-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

2-(3-methoxy-3-oxoprop-1-enyl)pyridine-3-carboxylic acid
CID 169479048
2-(3-carboxyprop-1-enyl)-3-fluoropyridine-4-carboxylic acid
CID 170483944
2-fluoro-3-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
CID 169479163
2-(4-aminobut-1-enyl)-3-fluoropyridine-4-carboxylic acid
CID 170487315
methyl (E)-3-(4-chloro-3-sulfanyl-2-pyridinyl)prop-2-enoate
CID 143321086
methyl 3-(2-fluoro-4-pyridinyl)prop-2-enoate
CID 169478658
methyl (E)-3-(2-fluoro-4-pyridinyl)prop-2-enoate
CID 137495309
methyl 3-(5-fluoro-3-methyl-2-pyridinyl)prop-2-enoate
CID 169478775
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
methyl (E)-3-(2,3,4-trifluorophenyl)prop-2-enoate
CID 131886234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid (CID 169479279) is 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid is COC(=O)C=Cc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid?
The InChIKey is LCRSZMICYRCIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4/c1-16-8(13)3-2-7-9(11)6(10(14)15)4-5-12-7/h2-5H,1H3,(H,14,15).
What are the key properties of 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid?
3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid has a molecular weight of 225.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methoxy-3-oxoprop-1-enyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 169479279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).