7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

C14H8FNO4 — CID 5102083

IUPAC7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C14H8FNO4/c1-6-8(14(18)19)5-10-12(17)9-4-7(15)2-3-11(9)20-13(10)16-6/h2-5H,1H3,(H,18,19)
InChIKeyMDNKRBLHTVPEHZ-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.49
Rot. Bonds1

About 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid

7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 5102083) has the molecular formula C14H8FNO4 and a molecular weight of 273.22 g/mol. Its IUPAC name is 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID5102083
Molecular FormulaC14H8FNO4
Molecular Weight273.22 g/mol
Exact Mass273.04
IUPAC Name7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid
SMILESCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)O
InChIInChI=1S/C14H8FNO4/c1-6-8(14(18)19)5-10-12(17)9-4-7(15)2-3-11(9)20-13(10)16-6/h2-5H,1H3,(H,18,19)
InChIKeyMDNKRBLHTVPEHZ-UHFFFAOYSA-N
XLogP2.49
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid (CID 5102083) is 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)O.
What is the InChIKey of 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is MDNKRBLHTVPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO4/c1-6-8(14(18)19)5-10-12(17)9-4-7(15)2-3-11(9)20-13(10)16-6/h2-5H,1H3,(H,18,19).
What are the key properties of 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid?
7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 273.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 5102083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).