3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol

C12H10ClN3O2 — CID 135747793

IUPAC3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cc(/C=N/Nc2ccccn2)cc(Cl)c1O
InChIInChI=1S/C12H10ClN3O2/c13-9-5-8(6-10(17)12(9)18)7-15-16-11-3-1-2-4-14-11/h1-7,17-18H,(H,14,16)/b15-7+
InChIKeyCSTWDMOCSMZEAB-VIZOYTHASA-N
MW263.68 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol

3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (PubChem CID 135747793) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
PubChem CID135747793
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
SMILESOc1cc(/C=N/Nc2ccccn2)cc(Cl)c1O
InChIInChI=1S/C12H10ClN3O2/c13-9-5-8(6-10(17)12(9)18)7-15-16-11-3-1-2-4-14-11/h1-7,17-18H,(H,14,16)/b15-7+
InChIKeyCSTWDMOCSMZEAB-VIZOYTHASA-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_B(215)', '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

N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135819465
N-[(Z)-[3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 9121741
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
2-methoxy-6-prop-2-enyl-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 136704845
N-[(10-chloroanthracen-9-yl)methylideneamino]pyridin-2-amine
CID 3575879
4-[(pyridin-2-ylhydrazinylidene)methyl]benzenecarbothioamide
CID 4551729
2,4-dichloro-6-[(E)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenol
CID 135846344
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137
N-[(2-chloro-3-phenylprop-2-enylidene)amino]pyridin-2-amine
CID 5024735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The IUPAC name of 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol (CID 135747793) is 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The canonical SMILES for 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is Oc1cc(/C=N/Nc2ccccn2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
The InChIKey is CSTWDMOCSMZEAB-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-5-8(6-10(17)12(9)18)7-15-16-11-3-1-2-4-14-11/h1-7,17-18H,(H,14,16)/b15-7+.
What are the key properties of 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol?
3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-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 3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol is sourced from PubChem (CID 135747793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).