(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol

C10H13NO3 — CID 172721213

IUPAC(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol
SMILESCC1(C)Oc2ncccc2[C@H](O)[C@H]1O
InChIInChI=1S/C10H13NO3/c1-10(2)8(13)7(12)6-4-3-5-11-9(6)14-10/h3-5,7-8,12-13H,1-2H3/t7-,8+/m0/s1
InChIKeyGNQXWRYOEPXQIE-JGVFFNPUSA-N
MW195.22 g/mol
LogP0.65
Rot. Bonds

About (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol

(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol (PubChem CID 172721213) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol
PubChem CID172721213
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol
SMILESCC1(C)Oc2ncccc2[C@H](O)[C@H]1O
InChIInChI=1S/C10H13NO3/c1-10(2)8(13)7(12)6-4-3-5-11-9(6)14-10/h3-5,7-8,12-13H,1-2H3/t7-,8+/m0/s1
InChIKeyGNQXWRYOEPXQIE-JGVFFNPUSA-N
XLogP0.65
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol?
The IUPAC name of (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol (CID 172721213) is (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol.
What is the SMILES notation for (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol?
The canonical SMILES for (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol is CC1(C)Oc2ncccc2[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol?
The InChIKey is GNQXWRYOEPXQIE-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(2)8(13)7(12)6-4-3-5-11-9(6)14-10/h3-5,7-8,12-13H,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol?
(3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol has a molecular weight of 195.22 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-3,4-diol is sourced from PubChem (CID 172721213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).