(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone

C14H11Br2NO3 — CID 43338956

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cncc(Br)c2)cc1OC
InChIInChI=1S/C14H11Br2NO3/c1-19-12-4-10(11(16)5-13(12)20-2)14(18)8-3-9(15)7-17-6-8/h3-7H,1-2H3
InChIKeyXEABQYXWDXETJA-UHFFFAOYSA-N
MW401.05 g/mol
LogP3.85
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone (PubChem CID 43338956) has the molecular formula C14H11Br2NO3 and a molecular weight of 401.05 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
PubChem CID43338956
Molecular FormulaC14H11Br2NO3
Molecular Weight401.05 g/mol
Exact Mass398.91
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2cncc(Br)c2)cc1OC
InChIInChI=1S/C14H11Br2NO3/c1-19-12-4-10(11(16)5-13(12)20-2)14(18)8-3-9(15)7-17-6-8/h3-7H,1-2H3
InChIKeyXEABQYXWDXETJA-UHFFFAOYSA-N
XLogP3.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
(2-methoxy-4-methoxycarbonylphenyl) 5-bromopyridine-3-carboxylate
CID 18076718
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340450
(2-bromo-4,5-dimethoxyphenyl)-(2,3-dibromo-4,5-dimethoxyphenyl)methanone
CID 70689517
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone (CID 43338956) is (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone is COc1cc(Br)c(C(=O)c2cncc(Br)c2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone?
The InChIKey is XEABQYXWDXETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO3/c1-19-12-4-10(11(16)5-13(12)20-2)14(18)8-3-9(15)7-17-6-8/h3-7H,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone has a molecular weight of 401.05 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(5-bromo-3-pyridinyl)methanone is sourced from PubChem (CID 43338956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).