2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C12H8Cl2N4O3 — CID 135520572

IUPAC2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc1
InChIInChI=1S/C12H8Cl2N4O3/c13-8-3-7(12(19)10(14)4-8)5-16-17-11-2-1-9(6-15-11)18(20)21/h1-6,19H,(H,15,17)/b16-5+
InChIKeySKTFXOYRLQSRAW-FZSIALSZSA-N
MW327.13 g/mol
LogP3.45
Rot. Bonds4

About 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 135520572) has the molecular formula C12H8Cl2N4O3 and a molecular weight of 327.13 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID135520572
Molecular FormulaC12H8Cl2N4O3
Molecular Weight327.13 g/mol
Exact Mass326.00
IUPAC Name2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc1
InChIInChI=1S/C12H8Cl2N4O3/c13-8-3-7(12(19)10(14)4-8)5-16-17-11-2-1-9(6-15-11)18(20)21/h1-6,19H,(H,15,17)/b16-5+
InChIKeySKTFXOYRLQSRAW-FZSIALSZSA-N
XLogP3.45
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Salicylaldehyde, 5-chloro-, (5-nitro-2-pyridyl)hydrazone
CID 135538372
Salicylaldehyde, (5-nitro-2-pyridyl)hydrazone
CID 135538374
2-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135443095
4-chloro-2-nitro-6-[(Z)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135510999
3-[[(5-Nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 96102
4-[[(5-Nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3904863
2-Hydroxybenzaldehyde-5-nitro-pyridylhydrazone
CID 4387714
2,4-dichloro-6-[(E)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135520629
2,4-dichloro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439982
Benzaldehyde, m-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 5356182
Benzaldehyde, p-hydroxy-, (5-nitro-2-pyridyl)hydrazone
CID 135850203
2,4-dichloro-6-[(E)-[(1-methylpyridin-1-ium-2-yl)hydrazinylidene]methyl]phenol iodide
CID 135419392

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 135520572) is 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc1.
What is the InChIKey of 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is SKTFXOYRLQSRAW-FZSIALSZSA-N. The full InChI is InChI=1S/C12H8Cl2N4O3/c13-8-3-7(12(19)10(14)4-8)5-16-17-11-2-1-9(6-15-11)18(20)21/h1-6,19H,(H,15,17)/b16-5+.
What are the key properties of 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 327.13 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).