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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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).