4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine

C14H14Br2N2O3 — CID 71423908

IUPAC4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine
SMILESCOc1ccc(C/N=c2\cc(Br)cc(Br)n2O)c(OC)c1
InChIInChI=1S/C14H14Br2N2O3/c1-20-11-4-3-9(12(7-11)21-2)8-17-14-6-10(15)5-13(16)18(14)19/h3-7,19H,8H2,1-2H3/b17-14+
InChIKeyZLDKXRFHQVXFTM-SAPNQHFASA-N
MW418.09 g/mol
LogP3.37
Rot. Bonds4

About 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine

4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine (PubChem CID 71423908) has the molecular formula C14H14Br2N2O3 and a molecular weight of 418.09 g/mol. Its IUPAC name is 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine.

Molecular Properties

Compound Name4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine
PubChem CID71423908
Molecular FormulaC14H14Br2N2O3
Molecular Weight418.09 g/mol
Exact Mass415.94
IUPAC Name4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine
SMILESCOc1ccc(C/N=c2\cc(Br)cc(Br)n2O)c(OC)c1
InChIInChI=1S/C14H14Br2N2O3/c1-20-11-4-3-9(12(7-11)21-2)8-17-14-6-10(15)5-13(16)18(14)19/h3-7,19H,8H2,1-2H3/b17-14+
InChIKeyZLDKXRFHQVXFTM-SAPNQHFASA-N
XLogP3.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.09
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine 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

2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
1-(azidomethyl)-2,4-dimethoxybenzene
CID 14217595
2-[(2,4-dimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003792
(NE)-N-[1-(2,4-dimethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 24721588
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine
CID 174927015
1-(2-bromo-2-methylpropyl)-2,4-dimethoxybenzene
CID 82255129
4-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoroaniline
CID 65470060
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
6-[(2,4-dimethoxyphenyl)methylimino]-1-hydroxy-4-N-(3-phenylphenyl)-2-N-(2-pyridin-2-ylethyl)pyridine-2,4-diamine
CID 177456037
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine?
The IUPAC name of 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine (CID 71423908) is 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine.
What is the SMILES notation for 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine?
The canonical SMILES for 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine is COc1ccc(C/N=c2\cc(Br)cc(Br)n2O)c(OC)c1.
What is the InChIKey of 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine?
The InChIKey is ZLDKXRFHQVXFTM-SAPNQHFASA-N. The full InChI is InChI=1S/C14H14Br2N2O3/c1-20-11-4-3-9(12(7-11)21-2)8-17-14-6-10(15)5-13(16)18(14)19/h3-7,19H,8H2,1-2H3/b17-14+.
What are the key properties of 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine?
4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine has a molecular weight of 418.09 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-N-[(2,4-dimethoxyphenyl)methyl]-1-hydroxypyridin-2-imine is sourced from PubChem (CID 71423908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).