3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide

C11H12F2N2O4 — CID 127052773

IUPAC3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1F
InChIInChI=1S/C11H12F2N2O4/c12-6-4(1-2-15-8(6)11(14)18)10-7(13)9(17)5(3-16)19-10/h1-2,5,7,9-10,16-17H,3H2,(H2,14,18)/t5-,7-,9-,10+/m1/s1
InChIKeyQFSKAMJRJSSKIU-PXMQNUKVSA-N
MW274.22 g/mol
LogP-0.55
Rot. Bonds3

About 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide

3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide (PubChem CID 127052773) has the molecular formula C11H12F2N2O4 and a molecular weight of 274.22 g/mol. Its IUPAC name is 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
PubChem CID127052773
Molecular FormulaC11H12F2N2O4
Molecular Weight274.22 g/mol
Exact Mass274.08
IUPAC Name3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1F
InChIInChI=1S/C11H12F2N2O4/c12-6-4(1-2-15-8(6)11(14)18)10-7(13)9(17)5(3-16)19-10/h1-2,5,7,9-10,16-17H,3H2,(H2,14,18)/t5-,7-,9-,10+/m1/s1
InChIKeyQFSKAMJRJSSKIU-PXMQNUKVSA-N
XLogP-0.55
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

[[(2R,3S,4R,5S)-5-(2-carbamoyl-3-fluoro-4-pyridinyl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 127052775
5-Ribofuranosylnicotinamide
CID 129533
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide
CID 127051213
[[(2R,3S,4R,5S)-5-(2-carbamoyl-3-fluoro-4-pyridinyl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 127052777
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridine-2-carboxamide
CID 127053064
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-4-carboxamide
CID 14844023
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 69896115
3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 127049355
3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 127052774
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-ethenylpyridine-2-carboxamide
CID 127053065
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-ethynylpyridine-2-carboxamide
CID 127053066
4-Carbamoyl-2-d-ribofuranosylpyridine
CID 14844022

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide (CID 127052773) is 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide is NC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1F.
What is the InChIKey of 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The InChIKey is QFSKAMJRJSSKIU-PXMQNUKVSA-N. The full InChI is InChI=1S/C11H12F2N2O4/c12-6-4(1-2-15-8(6)11(14)18)10-7(13)9(17)5(3-16)19-10/h1-2,5,7,9-10,16-17H,3H2,(H2,14,18)/t5-,7-,9-,10+/m1/s1.
What are the key properties of 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide has a molecular weight of 274.22 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2S,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127052773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).