2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C14H12Br2N4O4 — CID 137076452

IUPAC2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(Br)c(Br)c1O
InChIInChI=1S/C14H12Br2N4O4/c1-2-24-10-6-8(11(15)12(16)13(10)21)7-18-19-14-9(20(22)23)4-3-5-17-14/h3-7,21H,2H2,1H3,(H,17,19)/b18-7-
InChIKeyFLZOSZKNWLZAQU-WSVATBPTSA-N
MW460.08 g/mol
LogP4.07
Rot. Bonds6

About 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 137076452) has the molecular formula C14H12Br2N4O4 and a molecular weight of 460.08 g/mol. Its IUPAC name is 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID137076452
Molecular FormulaC14H12Br2N4O4
Molecular Weight460.08 g/mol
Exact Mass457.92
IUPAC Name2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(Br)c(Br)c1O
InChIInChI=1S/C14H12Br2N4O4/c1-2-24-10-6-8(11(15)12(16)13(10)21)7-18-19-14-9(20(22)23)4-3-5-17-14/h3-7,21H,2H2,1H3,(H,17,19)/b18-7-
InChIKeyFLZOSZKNWLZAQU-WSVATBPTSA-N
XLogP4.07
TPSA109.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.08
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

ethyl 2-[5-bromo-2-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126078647
N-[(Z)-[2-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126081092
N-[(Z)-[2-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126113281
2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3744788
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
2-[2-bromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126109189
2-bromo-6-methoxy-4-[(E)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135642188
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135821657
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126075203
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136689283
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126102036

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 137076452) is 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])c(Br)c(Br)c1O.
What is the InChIKey of 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is FLZOSZKNWLZAQU-WSVATBPTSA-N. The full InChI is InChI=1S/C14H12Br2N4O4/c1-2-24-10-6-8(11(15)12(16)13(10)21)7-18-19-14-9(20(22)23)4-3-5-17-14/h3-7,21H,2H2,1H3,(H,17,19)/b18-7-.
What are the key properties of 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol has a molecular weight of 460.08 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137076452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).