4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol

C13H13NO3 — CID 44611571

IUPAC4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol
SMILESCOc1ncccc1Cc1ccc(O)cc1O
InChIInChI=1S/C13H13NO3/c1-17-13-10(3-2-6-14-13)7-9-4-5-11(15)8-12(9)16/h2-6,8,15-16H,7H2,1H3
InChIKeyDRCOSVLHATXBGT-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.09
Rot. Bonds3

About 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol

4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol (PubChem CID 44611571) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol
PubChem CID44611571
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol
SMILESCOc1ncccc1Cc1ccc(O)cc1O
InChIInChI=1S/C13H13NO3/c1-17-13-10(3-2-6-14-13)7-9-4-5-11(15)8-12(9)16/h2-6,8,15-16H,7H2,1H3
InChIKeyDRCOSVLHATXBGT-UHFFFAOYSA-N
XLogP2.09
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol?
The IUPAC name of 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol (CID 44611571) is 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol is COc1ncccc1Cc1ccc(O)cc1O.
What is the InChIKey of 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol?
The InChIKey is DRCOSVLHATXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-13-10(3-2-6-14-13)7-9-4-5-11(15)8-12(9)16/h2-6,8,15-16H,7H2,1H3.
What are the key properties of 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol?
4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol has a molecular weight of 231.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol is sourced from PubChem (CID 44611571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).