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

C11H13ClN2O5 — CID 127049355

IUPAC3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Cl
InChIInChI=1S/C11H13ClN2O5/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
InChIKeyKWODFVNGBPZPKY-KBHCAIDQSA-N
MW288.69 g/mol
LogP-1.01
Rot. Bonds3

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

3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide (PubChem CID 127049355) has the molecular formula C11H13ClN2O5 and a molecular weight of 288.69 g/mol. Its IUPAC name is 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
PubChem CID127049355
Molecular FormulaC11H13ClN2O5
Molecular Weight288.69 g/mol
Exact Mass288.05
IUPAC Name3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Cl
InChIInChI=1S/C11H13ClN2O5/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
InChIKeyKWODFVNGBPZPKY-KBHCAIDQSA-N
XLogP-1.01
TPSA125.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide (CID 127049355) is 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide is NC(=O)c1nccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Cl.
What is the InChIKey of 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
The InChIKey is KWODFVNGBPZPKY-KBHCAIDQSA-N. The full InChI is InChI=1S/C11H13ClN2O5/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 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide?
3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide has a molecular weight of 288.69 g/mol, XLogP of -1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 127049355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).