2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol

C9H11NO4 — CID 166975626

IUPAC2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol
SMILESOCC1Oc2cccnc2C(O)C1O
InChIInChI=1S/C9H11NO4/c11-4-6-8(12)9(13)7-5(14-6)2-1-3-10-7/h1-3,6,8-9,11-13H,4H2
InChIKeySFWXAIRKDJIXRC-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.77
Rot. Bonds1

About 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol

2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol (PubChem CID 166975626) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol
PubChem CID166975626
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol
SMILESOCC1Oc2cccnc2C(O)C1O
InChIInChI=1S/C9H11NO4/c11-4-6-8(12)9(13)7-5(14-6)2-1-3-10-7/h1-3,6,8-9,11-13H,4H2
InChIKeySFWXAIRKDJIXRC-UHFFFAOYSA-N
XLogP-0.77
TPSA82.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol
CID 165180112
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-3-pyridinyl)oxolane-3,4-diol
CID 91505027
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
CID 148618556
CID 148618556
[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
CID 174191495
[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
CID 165402682
2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol
CID 23049078
7-hydroxy-7H-furo[3,4-b]pyridin-5-one
CID 14796871
(5R,6R,7R)-5-(hydroxymethyl)-2-(trifluoromethyl)-6,7-dihydro-5H-pyrano[3,2-d][1,3]oxazole-6,7-diol
CID 167524314
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
CID 119032041
2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile
CID 10444838
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol (CID 166975626) is 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol is OCC1Oc2cccnc2C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol?
The InChIKey is SFWXAIRKDJIXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-4-6-8(12)9(13)7-5(14-6)2-1-3-10-7/h1-3,6,8-9,11-13H,4H2.
What are the key properties of 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol?
2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol has a molecular weight of 197.19 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol is sourced from PubChem (CID 166975626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).