2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid

C10H11FN2O4S — CID 169313769

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C10H11FN2O4S/c11-8-5-7(10(14)15)6-9(12-8)13-1-3-18(16,17)4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyDHJKLWZKPLOCPN-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.15
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid

2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid (PubChem CID 169313769) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid
PubChem CID169313769
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C10H11FN2O4S/c11-8-5-7(10(14)15)6-9(12-8)13-1-3-18(16,17)4-2-13/h5-6H,1-4H2,(H,14,15)
InChIKeyDHJKLWZKPLOCPN-UHFFFAOYSA-N
XLogP0.15
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Fluoro-6-(pyrrolidin-1-yl)isonicotinic acid
CID 46318079
2-[2-(4-Fluorophenyl)ethylamino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 57723089
6-[Benzyl-[(2-methylcyclopropyl)methyl]amino]-3-fluoro-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59028285
3-Fluoro-6-[2-methoxyethyl-[(2-methylcyclopropyl)methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59028286
2-[2,2-Difluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[2-methoxyethyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59028363
2-[2,2-Difluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59651094
2-[2,2-Difluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59651114
2-[2-Fluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59651118
6-[benzyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-3-fluoro-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 69518697
3-fluoro-6-[2-methoxyethyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-2-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 69519675
6-[Benzyl-[(2-methylcyclopropyl)methyl]amino]-3-fluoro-2-[methyl(methylsulfinyl)amino]pyridine-4-carboxylic acid
CID 70325492
2-(4,4-Difluoropiperidin-1-yl)isonicotinic acid
CID 105503578

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid (CID 169313769) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid is O=C(O)c1cc(F)nc(N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid?
The InChIKey is DHJKLWZKPLOCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c11-8-5-7(10(14)15)6-9(12-8)13-1-3-18(16,17)4-2-13/h5-6H,1-4H2,(H,14,15).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 169313769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).