2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol

C14H13BrN2O3 — CID 135478369

IUPAC2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
SMILESCCOc1cc(Br)cc(/C=N/c2ncccc2O)c1O
InChIInChI=1S/C14H13BrN2O3/c1-2-20-12-7-10(15)6-9(13(12)19)8-17-14-11(18)4-3-5-16-14/h3-8,18-19H,2H2,1H3/b17-8+
InChIKeyFTCLTAXOTQVWEJ-CAOOACKPSA-N
MW337.17 g/mol
LogP3.40
Rot. Bonds4

About 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol

2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol (PubChem CID 135478369) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol.

Molecular Properties

Compound Name2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
PubChem CID135478369
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol
SMILESCCOc1cc(Br)cc(/C=N/c2ncccc2O)c1O
InChIInChI=1S/C14H13BrN2O3/c1-2-20-12-7-10(15)6-9(13(12)19)8-17-14-11(18)4-3-5-16-14/h3-8,18-19H,2H2,1H3/b17-8+
InChIKeyFTCLTAXOTQVWEJ-CAOOACKPSA-N
XLogP3.40
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-ethoxy-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135904945
4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
CID 171981027
2-[(E)-[2-[(E)-(3-hydroxy-2-pyridinyl)iminomethyl]phenyl]methylideneamino]pyridin-3-ol
CID 135912097
2-[[3-(1,3-benzothiazol-2-yl)phenyl]iminomethyl]-4-bromo-6-ethoxyphenol
CID 3096197
4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135642919
2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-4,5-dimethylthiophene-3-carbonitrile
CID 3721355
5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885110
2-ethoxy-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135515677
3-bromo-N-[3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]-4-methylbenzamide
CID 3098933
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol
CID 168626937
3,5-dibromo-4-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenol
CID 3465274
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080251

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol?
The IUPAC name of 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol (CID 135478369) is 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol.
What is the SMILES notation for 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol?
The canonical SMILES for 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol is CCOc1cc(Br)cc(/C=N/c2ncccc2O)c1O.
What is the InChIKey of 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol?
The InChIKey is FTCLTAXOTQVWEJ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-2-20-12-7-10(15)6-9(13(12)19)8-17-14-11(18)4-3-5-16-14/h3-8,18-19H,2H2,1H3/b17-8+.
What are the key properties of 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol?
2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol has a molecular weight of 337.17 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]pyridin-3-ol is sourced from PubChem (CID 135478369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).