2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone

C14H13BrN2O2 — CID 106950901

IUPAC2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccnc(N)c2)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-19-13-3-2-10(8-11(13)15)12(18)6-9-4-5-17-14(16)7-9/h2-5,7-8H,6H2,1H3,(H2,16,17)
InChIKeyHJUVAAMXXRXUBF-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone

2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone (PubChem CID 106950901) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
PubChem CID106950901
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccnc(N)c2)cc1Br
InChIInChI=1S/C14H13BrN2O2/c1-19-13-3-2-10(8-11(13)15)12(18)6-9-4-5-17-14(16)7-9/h2-5,7-8H,6H2,1H3,(H2,16,17)
InChIKeyHJUVAAMXXRXUBF-UHFFFAOYSA-N
XLogP2.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3-bromophenyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116582135
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
2-(3-bromo-4-methoxyphenyl)-1-pyridin-4-ylethanone
CID 54971414
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
1-(3-bromo-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965317
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
2-(3-bromo-4-methoxyphenyl)-1-(4-iodophenyl)ethanone
CID 114964703
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
1-(3-bromo-4-methoxyphenyl)-2-methoxyethanone
CID 43799540
1-(3-bromo-4-methoxyphenyl)pentan-1-one
CID 43161744
1-(3-bromo-4-methoxyphenyl)-4,4-dimethylpentan-1-one
CID 114970106

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone (CID 106950901) is 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccnc(N)c2)cc1Br.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone?
The InChIKey is HJUVAAMXXRXUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-3-2-10(8-11(13)15)12(18)6-9-4-5-17-14(16)7-9/h2-5,7-8H,6H2,1H3,(H2,16,17).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone?
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone has a molecular weight of 321.17 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone is sourced from PubChem (CID 106950901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).