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

C13H10Cl2N4O3 — CID 136897084

IUPAC2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCN(/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10Cl2N4O3/c1-18(12-3-2-10(7-16-12)19(21)22)17-6-8-4-9(14)5-11(15)13(8)20/h2-7,20H,1H3/b17-6-
InChIKeyOKZNNWFGJDXWMM-FMQZQXMHSA-N
MW341.15 g/mol
LogP3.47
Rot. Bonds4

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

2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 136897084) has the molecular formula C13H10Cl2N4O3 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID136897084
Molecular FormulaC13H10Cl2N4O3
Molecular Weight341.15 g/mol
Exact Mass340.01
IUPAC Name2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCN(/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10Cl2N4O3/c1-18(12-3-2-10(7-16-12)19(21)22)17-6-8-4-9(14)5-11(15)13(8)20/h2-7,20H,1H3/b17-6-
InChIKeyOKZNNWFGJDXWMM-FMQZQXMHSA-N
XLogP3.47
TPSA91.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
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

N-[(4-chlorophenyl)methylideneamino]-N-methyl-5-nitropyridin-2-amine
CID 2798871
2,4-dichloro-6-[(E)-[[5-(4-nitrophenyl)pyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135588478
2,4-dichloro-6-[[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 2804708
2,4-dichloro-6-[(E)-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135520632
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
2,4-dichloro-6-[(Z)-(5-methyl-3-nitropyrazol-1-yl)iminomethyl]phenol
CID 136728450
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
CID 136858172
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135623996
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dinitrophenyl)acetamide
CID 137118534
(E)-3-(3,5-dichloro-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 22302559
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 136897084) is 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is CN(/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is OKZNNWFGJDXWMM-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H10Cl2N4O3/c1-18(12-3-2-10(7-16-12)19(21)22)17-6-8-4-9(14)5-11(15)13(8)20/h2-7,20H,1H3/b17-6-.
What are the key properties of 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 341.15 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(Z)-[methyl-(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136897084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).