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

C12H10N2O2 — CID 135767525

IUPAC4-(pyridin-3-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/c2cccnc2)c(O)c1
InChIInChI=1S/C12H10N2O2/c15-11-4-3-9(12(16)6-11)7-14-10-2-1-5-13-8-10/h1-8,15-16H/b14-7+
InChIKeyQFIPLHPZJFBITO-VGOFMYFVSA-N
MW214.22 g/mol
LogP2.24
Rot. Bonds2

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

4-(pyridin-3-yliminomethyl)benzene-1,3-diol (PubChem CID 135767525) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(pyridin-3-yliminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(pyridin-3-yliminomethyl)benzene-1,3-diol
PubChem CID135767525
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(pyridin-3-yliminomethyl)benzene-1,3-diol
SMILESOc1ccc(/C=N/c2cccnc2)c(O)c1
InChIInChI=1S/C12H10N2O2/c15-11-4-3-9(12(16)6-11)7-14-10-2-1-5-13-8-10/h1-8,15-16H/b14-7+
InChIKeyQFIPLHPZJFBITO-VGOFMYFVSA-N
XLogP2.24
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(pyridin-3-yliminomethyl)benzene-1,3-diol?
The IUPAC name of 4-(pyridin-3-yliminomethyl)benzene-1,3-diol (CID 135767525) is 4-(pyridin-3-yliminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(pyridin-3-yliminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-(pyridin-3-yliminomethyl)benzene-1,3-diol is Oc1ccc(/C=N/c2cccnc2)c(O)c1.
What is the InChIKey of 4-(pyridin-3-yliminomethyl)benzene-1,3-diol?
The InChIKey is QFIPLHPZJFBITO-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-11-4-3-9(12(16)6-11)7-14-10-2-1-5-13-8-10/h1-8,15-16H/b14-7+.
What are the key properties of 4-(pyridin-3-yliminomethyl)benzene-1,3-diol?
4-(pyridin-3-yliminomethyl)benzene-1,3-diol has a molecular weight of 214.22 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-yliminomethyl)benzene-1,3-diol is sourced from PubChem (CID 135767525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).