8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

C16H16N2O3 — CID 138726326

IUPAC8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILES[H]/N=C(\C)c1cc(-c2cncc3c2COCC3O)ccc1O
InChIInChI=1S/C16H16N2O3/c1-9(17)11-4-10(2-3-15(11)19)12-5-18-6-13-14(12)7-21-8-16(13)20/h2-6,16-17,19-20H,7-8H2,1H3/b17-9+
InChIKeyUBVLWJVMRYMYMI-RQZCQDPDSA-N
MW284.32 g/mol
LogP2.41
Rot. Bonds2

About 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol

8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (PubChem CID 138726326) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.

Molecular Properties

Compound Name8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
PubChem CID138726326
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
SMILES[H]/N=C(\C)c1cc(-c2cncc3c2COCC3O)ccc1O
InChIInChI=1S/C16H16N2O3/c1-9(17)11-4-10(2-3-15(11)19)12-5-18-6-13-14(12)7-21-8-16(13)20/h2-6,16-17,19-20H,7-8H2,1H3/b17-9+
InChIKeyUBVLWJVMRYMYMI-RQZCQDPDSA-N
XLogP2.41
TPSA86.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The IUPAC name of 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol (CID 138726326) is 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol.
What is the SMILES notation for 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The canonical SMILES for 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is [H]/N=C(\C)c1cc(-c2cncc3c2COCC3O)ccc1O.
What is the InChIKey of 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
The InChIKey is UBVLWJVMRYMYMI-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9(17)11-4-10(2-3-15(11)19)12-5-18-6-13-14(12)7-21-8-16(13)20/h2-6,16-17,19-20H,7-8H2,1H3/b17-9+.
What are the key properties of 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol?
8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol has a molecular weight of 284.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethanimidoyl-4-hydroxyphenyl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol is sourced from PubChem (CID 138726326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).