1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone

C13H10Br2N2O — CID 116597271

IUPAC1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
SMILESNc1cc(Br)cc(C(=O)Cc2cncc(Br)c2)c1
InChIInChI=1S/C13H10Br2N2O/c14-10-3-9(4-12(16)5-10)13(18)2-8-1-11(15)7-17-6-8/h1,3-7H,2,16H2
InChIKeyPVGRQCYHBBAWBL-UHFFFAOYSA-N
MW370.04 g/mol
LogP3.61
Rot. Bonds3

About 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone

1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone (PubChem CID 116597271) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
PubChem CID116597271
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
SMILESNc1cc(Br)cc(C(=O)Cc2cncc(Br)c2)c1
InChIInChI=1S/C13H10Br2N2O/c14-10-3-9(4-12(16)5-10)13(18)2-8-1-11(15)7-17-6-8/h1,3-7H,2,16H2
InChIKeyPVGRQCYHBBAWBL-UHFFFAOYSA-N
XLogP3.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
2-(5-bromo-3-pyridinyl)-1-pyridazin-4-ylethanone
CID 105128871
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
2-(5-bromo-3-pyridinyl)-1-quinoxalin-6-ylethanone
CID 104798917
1-(3-amino-5-bromophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116597097
4-amino-1-(5-bromo-3-pyridinyl)butan-2-one
CID 116550854
1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
3-amino-1-(5-bromo-3-pyridinyl)heptan-2-one
CID 116556893
1-(3-amino-5-bromophenyl)but-3-yn-1-one
CID 116597024
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
1-(3-amino-5-bromophenyl)decan-1-one
CID 116597038

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone?
The IUPAC name of 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone (CID 116597271) is 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone?
The canonical SMILES for 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone is Nc1cc(Br)cc(C(=O)Cc2cncc(Br)c2)c1.
What is the InChIKey of 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone?
The InChIKey is PVGRQCYHBBAWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c14-10-3-9(4-12(16)5-10)13(18)2-8-1-11(15)7-17-6-8/h1,3-7H,2,16H2.
What are the key properties of 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone?
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone has a molecular weight of 370.04 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone is sourced from PubChem (CID 116597271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).