bis(5-bromo-2-methoxy-4-pyridinyl)methanone

C13H10Br2N2O3 — CID 145284641

IUPACbis(5-bromo-2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)c2cc(OC)ncc2Br)c(Br)cn1
InChIInChI=1S/C13H10Br2N2O3/c1-19-11-3-7(9(14)5-16-11)13(18)8-4-12(20-2)17-6-10(8)15/h3-6H,1-2H3
InChIKeyRIOBNMGOHWOLEP-UHFFFAOYSA-N
MW402.04 g/mol
LogP3.25
Rot. Bonds4

About bis(5-bromo-2-methoxy-4-pyridinyl)methanone

bis(5-bromo-2-methoxy-4-pyridinyl)methanone (PubChem CID 145284641) has the molecular formula C13H10Br2N2O3 and a molecular weight of 402.04 g/mol. Its IUPAC name is bis(5-bromo-2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Namebis(5-bromo-2-methoxy-4-pyridinyl)methanone
PubChem CID145284641
Molecular FormulaC13H10Br2N2O3
Molecular Weight402.04 g/mol
Exact Mass399.91
IUPAC Namebis(5-bromo-2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)c2cc(OC)ncc2Br)c(Br)cn1
InChIInChI=1S/C13H10Br2N2O3/c1-19-11-3-7(9(14)5-16-11)13(18)8-4-12(20-2)17-6-10(8)15/h3-6H,1-2H3
InChIKeyRIOBNMGOHWOLEP-UHFFFAOYSA-N
XLogP3.25
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

nitroso 5-bromo-2-methoxypyridine-4-carboxylate
CID 175292393
2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
CID 84704798
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
methyl 5-bromo-2-propan-2-yloxypyridine-4-carboxylate
CID 86723769
methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
CID 138609183
methyl 5-bromo-2-cyclopropyloxypyridine-4-carboxylate
CID 154595238
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
4-bromo-5-chloro-2-methoxypyridine
CID 70700260
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
(2E)-2-[(5-bromo-2-methoxy-4-pyridinyl)methylidene]butanoic acid
CID 67445969
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839

Frequently Asked Questions

What is the IUPAC name of bis(5-bromo-2-methoxy-4-pyridinyl)methanone?
The IUPAC name of bis(5-bromo-2-methoxy-4-pyridinyl)methanone (CID 145284641) is bis(5-bromo-2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for bis(5-bromo-2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for bis(5-bromo-2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)c2cc(OC)ncc2Br)c(Br)cn1.
What is the InChIKey of bis(5-bromo-2-methoxy-4-pyridinyl)methanone?
The InChIKey is RIOBNMGOHWOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O3/c1-19-11-3-7(9(14)5-16-11)13(18)8-4-12(20-2)17-6-10(8)15/h3-6H,1-2H3.
What are the key properties of bis(5-bromo-2-methoxy-4-pyridinyl)methanone?
bis(5-bromo-2-methoxy-4-pyridinyl)methanone has a molecular weight of 402.04 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-bromo-2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 145284641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).