2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

C14H12Br2N4O4 — CID 3744788

IUPAC2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)c(Br)c(Br)c1O
InChIInChI=1S/C14H12Br2N4O4/c1-2-24-10-5-8(12(15)13(16)14(10)21)6-18-19-11-4-3-9(7-17-11)20(22)23/h3-7,21H,2H2,1H3,(H,17,19)
InChIKeyOWOYQCXGVGHGMQ-UHFFFAOYSA-N
MW460.08 g/mol
LogP4.07
Rot. Bonds6

About 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol

2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (PubChem CID 3744788) has the molecular formula C14H12Br2N4O4 and a molecular weight of 460.08 g/mol. Its IUPAC name is 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
PubChem CID3744788
Molecular FormulaC14H12Br2N4O4
Molecular Weight460.08 g/mol
Exact Mass457.92
IUPAC Name2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)c(Br)c(Br)c1O
InChIInChI=1S/C14H12Br2N4O4/c1-2-24-10-5-8(12(15)13(16)14(10)21)6-18-19-11-4-3-9(7-17-11)20(22)23/h3-7,21H,2H2,1H3,(H,17,19)
InChIKeyOWOYQCXGVGHGMQ-UHFFFAOYSA-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

2-ethoxy-6-iodo-4-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137152057
2,3-dibromo-6-ethoxy-4-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137076452
N-[(2-butoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3637125
4-nitro-2-[(E)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135563463
2,6-dimethoxy-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135473372
[5-bromo-2-methoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenyl] acetate
CID 5056187
N-[(Z)-2-ethylbutylideneamino]-5-nitropyridin-2-amine
CID 5355685
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
2-bromo-6-iodo-4-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 137064603
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-5-nitropyridin-2-amine
CID 21374211
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136689283
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3717617

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol (CID 3744788) is 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is CCOc1cc(C=NNc2ccc([N+](=O)[O-])cn2)c(Br)c(Br)c1O.
What is the InChIKey of 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
The InChIKey is OWOYQCXGVGHGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N4O4/c1-2-24-10-5-8(12(15)13(16)14(10)21)6-18-19-11-4-3-9(7-17-11)20(22)23/h3-7,21H,2H2,1H3,(H,17,19).
What are the key properties of 2,3-dibromo-6-ethoxy-4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol?
2,3-dibromo-6-ethoxy-4-[[(5-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-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).