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

C11H13FN2O5 — CID 127051213

IUPAC4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1F
InChIInChI=1S/C11H13FN2O5/c12-6-4(1-2-14-7(6)11(13)18)10-9(17)8(16)5(3-15)19-10/h1-2,5,8-10,15-17H,3H2,(H2,13,18)/t5-,8-,9-,10+/m1/s1
InChIKeyRDSCQNWDXVNRMU-KBHCAIDQSA-N
MW272.23 g/mol
LogP-1.53
Rot. Bonds3

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

4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 127051213) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide
PubChem CID127051213
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1F
InChIInChI=1S/C11H13FN2O5/c12-6-4(1-2-14-7(6)11(13)18)10-9(17)8(16)5(3-15)19-10/h1-2,5,8-10,15-17H,3H2,(H2,13,18)/t5-,8-,9-,10+/m1/s1
InChIKeyRDSCQNWDXVNRMU-KBHCAIDQSA-N
XLogP-1.53
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide (CID 127051213) is 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide is NC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1F.
What is the InChIKey of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide?
The InChIKey is RDSCQNWDXVNRMU-KBHCAIDQSA-N. The full InChI is InChI=1S/C11H13FN2O5/c12-6-4(1-2-14-7(6)11(13)18)10-9(17)8(16)5(3-15)19-10/h1-2,5,8-10,15-17H,3H2,(H2,13,18)/t5-,8-,9-,10+/m1/s1.
What are the key properties of 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide?
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide has a molecular weight of 272.23 g/mol, XLogP of -1.53, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 127051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).