2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C12H9Cl2N3O — CID 135439982

IUPAC2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17)/b16-7+
InChIKeyJGDHSTZQVZGSEG-FRKPEAEDSA-N
MW282.13 g/mol
LogP3.54
Rot. Bonds3

About 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135439982) has the molecular formula C12H9Cl2N3O and a molecular weight of 282.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135439982
Molecular FormulaC12H9Cl2N3O
Molecular Weight282.13 g/mol
Exact Mass281.01
IUPAC Name2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17)/b16-7+
InChIKeyJGDHSTZQVZGSEG-FRKPEAEDSA-N
XLogP3.54
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

4-[(6-Chloro-pyridin-2-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135495440
2,4-Dichloro-6-[(pyridin-2-ylamino)methyl]phenol
CID 889392
3-[(Pyridin-2-ylhydrazinylidene)methyl]phenol
CID 263872
4-Chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
Salicylaldehyde, 5-chloro-, (5-nitro-2-pyridyl)hydrazone
CID 135538372
2,4-dichloro-6-{(E)-[(5-methylpyridin-2-yl)imino]methyl}phenol
CID 914307
(E)-N'-(3,5-dichloro-2-hydroxybenzylidene)isonicotinohydrazide
CID 135409975
4-Hydroxybenzaldehyde (3,5-dichloropyridin-2-yl)hydrazone
CID 135580378
2-((5-Chloro-pyridin-2-ylimino)-methyl)-phenol
CID 321014
2-[[(5-Bromopyridin-2-yl)amino]methyl]-4,6-dichlorophenol
CID 661808
2,4-Dichloro-6-(((6-methylpyridin-2-yl)amino)methyl)phenol
CID 951458
2,4-dichloro-6-[(E)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135520629

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135439982) is 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N/Nc1ccccn1.
What is the InChIKey of 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is JGDHSTZQVZGSEG-FRKPEAEDSA-N. The full InChI is InChI=1S/C12H9Cl2N3O/c13-9-5-8(12(18)10(14)6-9)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17)/b16-7+.
What are the key properties of 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 282.13 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135439982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).