4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol

C13H12N2O2 — CID 135936172

IUPAC4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/Cc2cccnc2)c(O)c1
InChIInChI=1S/C13H12N2O2/c16-12-4-3-11(13(17)6-12)9-15-8-10-2-1-5-14-7-10/h1-7,9,16-17H,8H2/b15-9+
InChIKeyPBRYCEAKHRQIDC-OQLLNIDSSA-N
MW228.25 g/mol
LogP2.11
Rot. Bonds3

About 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol

4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol (PubChem CID 135936172) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol
PubChem CID135936172
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/Cc2cccnc2)c(O)c1
InChIInChI=1S/C13H12N2O2/c16-12-4-3-11(13(17)6-12)9-15-8-10-2-1-5-14-7-10/h1-7,9,16-17H,8H2/b15-9+
InChIKeyPBRYCEAKHRQIDC-OQLLNIDSSA-N
XLogP2.11
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diiodo-6-(pyridin-3-ylmethyliminomethyl)phenol
CID 135869135
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
N-hydroxy-N'-(pyridin-3-ylmethyl)methanimidamide
CID 54404676
4,6-ditert-butyl-3-(pyridin-3-ylmethyliminomethyl)benzene-1,2-diol
CID 170984159
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
4-[(E)-hydroxyiminomethyl]benzene-1,3-diol
CID 135408746
2-[(3-chlorophenyl)methyliminomethyl]phenol
CID 135629536
4-(pyridin-3-yloxymethyl)benzene-1,3-diol
CID 117219782
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
1-(2-pyridin-3-ylethylamino)isoquinolin-7-ol
CID 106537689
4-(pyridin-3-yldiazenyl)benzene-1,3-diol
CID 611991
7-hydroxy-2-propan-2-yl-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 67112722

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol (CID 135936172) is 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol is Oc1ccc(/C=N/Cc2cccnc2)c(O)c1.
What is the InChIKey of 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol?
The InChIKey is PBRYCEAKHRQIDC-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-4-3-11(13(17)6-12)9-15-8-10-2-1-5-14-7-10/h1-7,9,16-17H,8H2/b15-9+.
What are the key properties of 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol?
4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 135936172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).