2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone

C8H9BrN2O2 — CID 84704798

IUPAC2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
SMILESCOc1cc(C(=O)CN)c(Br)cn1
InChIInChI=1S/C8H9BrN2O2/c1-13-8-2-5(7(12)3-10)6(9)4-11-8/h2,4H,3,10H2,1H3
InChIKeyBOMDVXFEQMLHEP-UHFFFAOYSA-N
MW245.08 g/mol
LogP0.99
Rot. Bonds3

About 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone

2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone (PubChem CID 84704798) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
PubChem CID84704798
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
SMILESCOc1cc(C(=O)CN)c(Br)cn1
InChIInChI=1S/C8H9BrN2O2/c1-13-8-2-5(7(12)3-10)6(9)4-11-8/h2,4H,3,10H2,1H3
InChIKeyBOMDVXFEQMLHEP-UHFFFAOYSA-N
XLogP0.99
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(5-bromo-2-methoxy-4-pyridinyl)methanone
CID 145284641
nitroso 5-bromo-2-methoxypyridine-4-carboxylate
CID 175292393
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
CID 84666732
methyl 5-bromo-2-cyclopropyloxypyridine-4-carboxylate
CID 154595238
2-amino-1-(5-bromo-2-chloro-4-methoxyphenyl)ethanone
CID 84714845
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
5-bromo-2-methoxy-4-(2-nitroethyl)pyridine
CID 146273668
methyl 5-bromo-2-propan-2-yloxypyridine-4-carboxylate
CID 86723769
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018
(2E)-2-[(5-bromo-2-methoxy-4-pyridinyl)methylidene]butanoic acid
CID 67445969

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone (CID 84704798) is 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone is COc1cc(C(=O)CN)c(Br)cn1.
What is the InChIKey of 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone?
The InChIKey is BOMDVXFEQMLHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-8-2-5(7(12)3-10)6(9)4-11-8/h2,4H,3,10H2,1H3.
What are the key properties of 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone?
2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone has a molecular weight of 245.08 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 84704798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).