2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol

C10H13NO2 — CID 23049078

IUPAC2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol
SMILESCC1(C)CC(O)c2ncccc2O1
InChIInChI=1S/C10H13NO2/c1-10(2)6-7(12)9-8(13-10)4-3-5-11-9/h3-5,7,12H,6H2,1-2H3
InChIKeyPHSFPJMQXBDRKX-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.68
Rot. Bonds

About 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol

2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol (PubChem CID 23049078) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol
PubChem CID23049078
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol
SMILESCC1(C)CC(O)c2ncccc2O1
InChIInChI=1S/C10H13NO2/c1-10(2)6-7(12)9-8(13-10)4-3-5-11-9/h3-5,7,12H,6H2,1-2H3
InChIKeyPHSFPJMQXBDRKX-UHFFFAOYSA-N
XLogP1.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol?
The IUPAC name of 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol (CID 23049078) is 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol?
The canonical SMILES for 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol is CC1(C)CC(O)c2ncccc2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol?
The InChIKey is PHSFPJMQXBDRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2)6-7(12)9-8(13-10)4-3-5-11-9/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol?
2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol has a molecular weight of 179.22 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydropyrano[3,2-b]pyridin-4-ol is sourced from PubChem (CID 23049078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).