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

C11H12F2N2O5 — CID 127052774

IUPAC3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c1F
InChIInChI=1S/C11H12F2N2O5/c12-5-4(1-2-15-6(5)10(14)19)8-7(17)9(18)11(13,3-16)20-8/h1-2,7-9,16-18H,3H2,(H2,14,19)/t7-,8-,9-,11+/m0/s1
InChIKeyYPKXCSJRGUMPKZ-FTYOSLGDSA-N
MW290.22 g/mol
LogP-1.23
Rot. Bonds3

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

3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide (PubChem CID 127052774) has the molecular formula C11H12F2N2O5 and a molecular weight of 290.22 g/mol. Its IUPAC name is 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
PubChem CID127052774
Molecular FormulaC11H12F2N2O5
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Name3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c1F
InChIInChI=1S/C11H12F2N2O5/c12-5-4(1-2-15-6(5)10(14)19)8-7(17)9(18)11(13,3-16)20-8/h1-2,7-9,16-18H,3H2,(H2,14,19)/t7-,8-,9-,11+/m0/s1
InChIKeyYPKXCSJRGUMPKZ-FTYOSLGDSA-N
XLogP-1.23
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide (CID 127052774) is 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide is NC(=O)c1nccc([C@@H]2O[C@](F)(CO)[C@@H](O)[C@H]2O)c1F.
What is the InChIKey of 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The InChIKey is YPKXCSJRGUMPKZ-FTYOSLGDSA-N. The full InChI is InChI=1S/C11H12F2N2O5/c12-5-4(1-2-15-6(5)10(14)19)8-7(17)9(18)11(13,3-16)20-8/h1-2,7-9,16-18H,3H2,(H2,14,19)/t7-,8-,9-,11+/m0/s1.
What are the key properties of 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide has a molecular weight of 290.22 g/mol, XLogP of -1.23, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2S,3R,4S,5S)-5-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127052774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).