methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate

C16H14BrNO4 — CID 140840744

IUPACmethyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(C=Cc2nc(OC)ccc2Br)c(O)c1
InChIInChI=1S/C16H14BrNO4/c1-21-15-8-6-12(17)13(18-15)7-5-10-3-4-11(9-14(10)19)16(20)22-2/h3-9,19H,1-2H3
InChIKeyYAZGNTYJUNPSRQ-UHFFFAOYSA-N
MW364.20 g/mol
LogP3.52
Rot. Bonds4

About methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate

methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate (PubChem CID 140840744) has the molecular formula C16H14BrNO4 and a molecular weight of 364.20 g/mol. Its IUPAC name is methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate
PubChem CID140840744
Molecular FormulaC16H14BrNO4
Molecular Weight364.20 g/mol
Exact Mass363.01
IUPAC Namemethyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate
SMILESCOC(=O)c1ccc(C=Cc2nc(OC)ccc2Br)c(O)c1
InChIInChI=1S/C16H14BrNO4/c1-21-15-8-6-12(17)13(18-15)7-5-10-3-4-11(9-14(10)19)16(20)22-2/h3-9,19H,1-2H3
InChIKeyYAZGNTYJUNPSRQ-UHFFFAOYSA-N
XLogP3.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(3-bromoprop-1-enyl)-3-hydroxybenzoate
CID 169476533
methyl 4-[(E)-3-(3-bromo-6-methoxy-2-pyridinyl)-1-methoxyprop-2-enoxy]benzoate
CID 140840740
methyl 4-(3-amino-3-oxoprop-1-enyl)-3-hydroxybenzoate
CID 169482783
methyl 4-(2-cyanoethenyl)-3-hydroxybenzoate
CID 163217030
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797
ethane;methyl 3-bromo-4-hydroxybenzoate
CID 143655068
methyl 3-amino-4-[2-(2-amino-4-methoxycarbonylphenyl)ethenyl]benzoate
CID 91202728
methyl 3-bromo-4-[3-(methylamino)prop-1-enyl]benzoate
CID 169474662
methyl 3-hydroxy-4-[[2-[(2-hydroxy-4-methoxycarbonylphenyl)methylideneamino]phenyl]iminomethyl]benzoate
CID 136744502
methyl phenazine-2-carboxylate
CID 617185
methyl 4-bromo-3-formamidobenzoate
CID 122687075
methyl 3-(3-bromo-4-formylphenoxy)benzoate
CID 59525517

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate?
The IUPAC name of methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate (CID 140840744) is methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate.
What is the SMILES notation for methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate?
The canonical SMILES for methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate is COC(=O)c1ccc(C=Cc2nc(OC)ccc2Br)c(O)c1.
What is the InChIKey of methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate?
The InChIKey is YAZGNTYJUNPSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO4/c1-21-15-8-6-12(17)13(18-15)7-5-10-3-4-11(9-14(10)19)16(20)22-2/h3-9,19H,1-2H3.
What are the key properties of methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate?
methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate has a molecular weight of 364.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3-bromo-6-methoxy-2-pyridinyl)ethenyl]-3-hydroxybenzoate is sourced from PubChem (CID 140840744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).