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

C11H13NO6 — CID 67741472

IUPAC2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13NO6/c13-4-6-8(14)9(15)10(18-6)7-5(11(16)17)2-1-3-12-7/h1-3,6,8-10,13-15H,4H2,(H,16,17)/t6-,8-,9-,10?/m1/s1
InChIKeyNSEUHFYKWAJMNL-XIWVQZPPSA-N
MW255.23 g/mol
LogP-1.07
Rot. Bonds3

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

2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid (PubChem CID 67741472) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid
PubChem CID67741472
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H13NO6/c13-4-6-8(14)9(15)10(18-6)7-5(11(16)17)2-1-3-12-7/h1-3,6,8-10,13-15H,4H2,(H,16,17)/t6-,8-,9-,10?/m1/s1
InChIKeyNSEUHFYKWAJMNL-XIWVQZPPSA-N
XLogP-1.07
TPSA120.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid (CID 67741472) is 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid?
The InChIKey is NSEUHFYKWAJMNL-XIWVQZPPSA-N. The full InChI is InChI=1S/C11H13NO6/c13-4-6-8(14)9(15)10(18-6)7-5(11(16)17)2-1-3-12-7/h1-3,6,8-10,13-15H,4H2,(H,16,17)/t6-,8-,9-,10?/m1/s1.
What are the key properties of 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid?
2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67741472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).