4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C14H14BrN3O2 — CID 135904945

IUPAC4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCCOc1cc(Br)cc(/C=N/Nc2ccccn2)c1O
InChIInChI=1S/C14H14BrN3O2/c1-2-20-12-8-11(15)7-10(14(12)19)9-17-18-13-5-3-4-6-16-13/h3-9,19H,2H2,1H3,(H,16,18)/b17-9+
InChIKeyGWKPJWSBUDDEFI-RQZCQDPDSA-N
MW336.19 g/mol
LogP3.39
Rot. Bonds5

About 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135904945) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135904945
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCCOc1cc(Br)cc(/C=N/Nc2ccccn2)c1O
InChIInChI=1S/C14H14BrN3O2/c1-2-20-12-8-11(15)7-10(14(12)19)9-17-18-13-5-3-4-6-16-13/h3-9,19H,2H2,1H3,(H,16,18)/b17-9+
InChIKeyGWKPJWSBUDDEFI-RQZCQDPDSA-N
XLogP3.39
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
CID 135478369
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol
CID 168626937
4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135642919
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]pyridin-2-amine
CID 84932002
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080251
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135884089
(1R)-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 136852920
N-[(Z)-[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]pyridin-2-amine
CID 9121639
N-[(E)-(3,5-dibromo-2,4-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505661
N-[(Z)-3-[2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 137206909

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135904945) is 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is CCOc1cc(Br)cc(/C=N/Nc2ccccn2)c1O.
What is the InChIKey of 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is GWKPJWSBUDDEFI-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-2-20-12-8-11(15)7-10(14(12)19)9-17-18-13-5-3-4-6-16-13/h3-9,19H,2H2,1H3,(H,16,18)/b17-9+.
What are the key properties of 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 336.19 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135904945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).