4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol

C12H10ClN3O2 — CID 135495440

IUPAC4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2cccc(Cl)n2)c(O)c1
InChIInChI=1S/C12H10ClN3O2/c13-11-2-1-3-12(15-11)16-14-7-8-4-5-9(17)6-10(8)18/h1-7,17-18H,(H,15,16)/b14-7+
InChIKeyQIYMTKJETWAKQJ-VGOFMYFVSA-N
MW263.68 g/mol
LogP2.59
Rot. Bonds3

About 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135495440) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135495440
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2cccc(Cl)n2)c(O)c1
InChIInChI=1S/C12H10ClN3O2/c13-11-2-1-3-12(15-11)16-14-7-8-4-5-9(17)6-10(8)18/h1-7,17-18H,(H,15,16)/b14-7+
InChIKeyQIYMTKJETWAKQJ-VGOFMYFVSA-N
XLogP2.59
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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

2,4-Dihydroxybenzaldehyde [5-(trifluoromethyl)pyridin-2-yl]hydrazone
CID 135457735
4-[(6-Chloro-2-methyl-pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135536449
2,4-Dihydroxybenzaldehyde 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-methylhydrazone
CID 135544972
2-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135401278
4-Hydroxybenzaldehyde (3,5-dichloropyridin-2-yl)hydrazone
CID 135580378
4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 135527016
beta-Resorcylaldehyde, 2-pyridylhydrazone
CID 263866
2-[(E)-(2-pyridylhydrazono)methyl]phenol
CID 135439965
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
4-[(E)-[[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 135544971
Cyto10C5
CID 136799715
4-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135675996

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135495440) is 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2cccc(Cl)n2)c(O)c1.
What is the InChIKey of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is QIYMTKJETWAKQJ-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-11-2-1-3-12(15-11)16-14-7-8-4-5-9(17)6-10(8)18/h1-7,17-18H,(H,15,16)/b14-7+.
What are the key properties of 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 263.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(6-chloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135495440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).