(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol

C14H12Br3NO3 — CID 103522944

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2ncc(Br)cc2Br)c(OC)c1Br
InChIInChI=1S/C14H12Br3NO3/c1-20-10-4-3-8(14(21-2)11(10)17)13(19)12-9(16)5-7(15)6-18-12/h3-6,13,19H,1-2H3
InChIKeyJPAMLYVWICNJLL-UHFFFAOYSA-N
MW481.97 g/mol
LogP4.47
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol

(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol (PubChem CID 103522944) has the molecular formula C14H12Br3NO3 and a molecular weight of 481.97 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol
PubChem CID103522944
Molecular FormulaC14H12Br3NO3
Molecular Weight481.97 g/mol
Exact Mass478.84
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol
SMILESCOc1ccc(C(O)c2ncc(Br)cc2Br)c(OC)c1Br
InChIInChI=1S/C14H12Br3NO3/c1-20-10-4-3-8(14(21-2)11(10)17)13(19)12-9(16)5-7(15)6-18-12/h3-6,13,19H,1-2H3
InChIKeyJPAMLYVWICNJLL-UHFFFAOYSA-N
XLogP4.47
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol 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

(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanol
CID 107978790
(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
CID 113393932
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
2-(3-bromo-2,4-dimethoxyphenyl)propanoic acid
CID 84814609
(3-bromo-2,4-dimethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanol
CID 103524545
1-(3-bromo-2,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 103523197
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 103524557
(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 103523603
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol (CID 103522944) is (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol is COc1ccc(C(O)c2ncc(Br)cc2Br)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol?
The InChIKey is JPAMLYVWICNJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO3/c1-20-10-4-3-8(14(21-2)11(10)17)13(19)12-9(16)5-7(15)6-18-12/h3-6,13,19H,1-2H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol?
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol has a molecular weight of 481.97 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromo-2-pyridinyl)methanol is sourced from PubChem (CID 103522944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).