5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid

C14H6F3NO4 — CID 1485826

IUPAC5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C14H6F3NO4/c15-14(16,17)11-8(13(20)21)5-7-10(19)6-3-1-2-4-9(6)22-12(7)18-11/h1-5H,(H,20,21)
InChIKeyTVWQUGCVTXMXFU-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.06
Rot. Bonds1

About 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid

5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 1485826) has the molecular formula C14H6F3NO4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid
PubChem CID1485826
Molecular FormulaC14H6F3NO4
Molecular Weight309.20 g/mol
Exact Mass309.02
IUPAC Name5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C14H6F3NO4/c15-14(16,17)11-8(13(20)21)5-7-10(19)6-3-1-2-4-9(6)22-12(7)18-11/h1-5H,(H,20,21)
InChIKeyTVWQUGCVTXMXFU-UHFFFAOYSA-N
XLogP3.06
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one
CID 617281
5H-(1)Benzopyrano(2,3-b)pyridin-5-one, 3-acetyl-2,7-dimethyl-
CID 659276
2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
CID 130275496
methyl 2-ethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1475273
methyl 2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1475275
methyl 2-ethyl-7-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1478328
ethyl 2,7-dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1478332
ethyl 2-[2-(dimethylamino)vinyl]-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 5807440
ethyl 2,4-dimethyl-5-oxo-5H-chromeno[3,4-c]pyridine-1-carboxylate
CID 1508705
ethyl 2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 3703706
2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid
CID 1475283
methyl 2-(methoxymethyl)-7-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1478333

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid (CID 1485826) is 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F.
What is the InChIKey of 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is TVWQUGCVTXMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F3NO4/c15-14(16,17)11-8(13(20)21)5-7-10(19)6-3-1-2-4-9(6)22-12(7)18-11/h1-5H,(H,20,21).
What are the key properties of 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid?
5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 309.20 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 1485826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).