5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid

C11H10F3NO4 — CID 114201652

IUPAC5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid
SMILESCOc1cn(C2(C(F)(F)F)CC2)c(C(=O)O)cc1=O
InChIInChI=1S/C11H10F3NO4/c1-19-8-5-15(6(9(17)18)4-7(8)16)10(2-3-10)11(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeySOVLGCPGRSRMQS-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.61
Rot. Bonds3

About 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid

5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid (PubChem CID 114201652) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid
PubChem CID114201652
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid
SMILESCOc1cn(C2(C(F)(F)F)CC2)c(C(=O)O)cc1=O
InChIInChI=1S/C11H10F3NO4/c1-19-8-5-15(6(9(17)18)4-7(8)16)10(2-3-10)11(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeySOVLGCPGRSRMQS-UHFFFAOYSA-N
XLogP1.61
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 40572869
5-Methoxy-4-oxo-1-(3,3,3-trifluoropropyl)pyridine-2-carboxylic acid
CID 114201555
5-Methoxy-4-oxo-1-(4,4,4-trifluorobutan-2-yl)pyridine-2-carboxylic acid
CID 114201647
3-Butoxy-1-[1-(hydroxymethyl)cyclopropyl]-4-oxopyridine-2-carboxylic acid
CID 121404107
1-[3-(Dimethylamino)propyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201479
5-Methoxy-1-(3-methoxy-3-oxopropyl)-4-oxopyridine-2-carboxylic acid
CID 114201514
1-[2-(Dimethylamino)-2-methylpropyl]-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201515
1-(3-Ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201571
1-(3,3-Dimethylbutan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201595
5-Methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
CID 114201597
1-(3,3-Dimethylbutyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201614
1-(2-Ethoxy-2-methylpropyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201624

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid (CID 114201652) is 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid is COc1cn(C2(C(F)(F)F)CC2)c(C(=O)O)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid?
The InChIKey is SOVLGCPGRSRMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO4/c1-19-8-5-15(6(9(17)18)4-7(8)16)10(2-3-10)11(12,13)14/h4-5H,2-3H2,1H3,(H,17,18).
What are the key properties of 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid?
5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid has a molecular weight of 277.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114201652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).