3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol

C11H10N4O2 — CID 155517100

IUPAC3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/Nc2ncccn2)c1O
InChIInChI=1S/C11H10N4O2/c16-9-4-1-3-8(10(9)17)7-14-15-11-12-5-2-6-13-11/h1-7,16-17H,(H,12,13,15)/b14-7+
InChIKeyKHGPRTMOVOSPEP-VGOFMYFVSA-N
MW230.23 g/mol
LogP1.33
Rot. Bonds3

About 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol

3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 155517100) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID155517100
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/Nc2ncccn2)c1O
InChIInChI=1S/C11H10N4O2/c16-9-4-1-3-8(10(9)17)7-14-15-11-12-5-2-6-13-11/h1-7,16-17H,(H,12,13,15)/b14-7+
InChIKeyKHGPRTMOVOSPEP-VGOFMYFVSA-N
XLogP1.33
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol
CID 10608757
4-[(2,4-Diaminopyrimidin-5-yl)methyl]benzene-1,2-diol
CID 14999838
4-[(E)-[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135421695
4-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,2-diol
CID 135466643
3-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]phenol
CID 9751794
4-[[2-(5-Bromopyrimidin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421694
4-Pyrimidin-2-ylbenzene-1,2-diol
CID 135986081
2-[(E)-[(4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 136094093
2-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137225102
5-[(Z)-2-(2,4-diaminopyrimidin-5-yl)ethenyl]benzene-1,2,3-triol
CID 44420573
Benzaldehyde, 2,3-dihydroxy-, 2-pyridinylhydrazone
CID 135537314

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (CID 155517100) is 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is Oc1cccc(/C=N/Nc2ncccn2)c1O.
What is the InChIKey of 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is KHGPRTMOVOSPEP-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-4-1-3-8(10(9)17)7-14-15-11-12-5-2-6-13-11/h1-7,16-17H,(H,12,13,15)/b14-7+.
What are the key properties of 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol has a molecular weight of 230.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 155517100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).