4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol

C13H13NO3 — CID 70431515

IUPAC4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol
SMILESOc1ccc(C2NCCc3occc32)cc1O
InChIInChI=1S/C13H13NO3/c15-10-2-1-8(7-11(10)16)13-9-4-6-17-12(9)3-5-14-13/h1-2,4,6-7,13-16H,3,5H2
InChIKeyHNNFQZMHWHBMSL-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.93
Rot. Bonds1

About 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol

4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol (PubChem CID 70431515) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol
PubChem CID70431515
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol
SMILESOc1ccc(C2NCCc3occc32)cc1O
InChIInChI=1S/C13H13NO3/c15-10-2-1-8(7-11(10)16)13-9-4-6-17-12(9)3-5-14-13/h1-2,4,6-7,13-16H,3,5H2
InChIKeyHNNFQZMHWHBMSL-UHFFFAOYSA-N
XLogP1.93
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol (CID 70431515) is 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol is Oc1ccc(C2NCCc3occc32)cc1O.
What is the InChIKey of 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol?
The InChIKey is HNNFQZMHWHBMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-10-2-1-8(7-11(10)16)13-9-4-6-17-12(9)3-5-14-13/h1-2,4,6-7,13-16H,3,5H2.
What are the key properties of 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol?
4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol has a molecular weight of 231.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-4-yl)benzene-1,2-diol is sourced from PubChem (CID 70431515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).