5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid

C10H11BrN2O3 — CID 764849

IUPAC5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O3/c11-7-4-5-8(12-6-7)13-9(14)2-1-3-10(15)16/h4-6H,1-3H2,(H,15,16)(H,12,13,14)
InChIKeyOZNDTAVITINDOV-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.04
Rot. Bonds5

About 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid

5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid (PubChem CID 764849) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
PubChem CID764849
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O3/c11-7-4-5-8(12-6-7)13-9(14)2-1-3-10(15)16/h4-6H,1-3H2,(H,15,16)(H,12,13,14)
InChIKeyOZNDTAVITINDOV-UHFFFAOYSA-N
XLogP2.04
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
CID 126478002
N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
CID 115274084
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
N'-(5-bromo-2-pyridinyl)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]butanediamide
CID 6734071
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
CID 134562646
3-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66138511

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid (CID 764849) is 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid?
The InChIKey is OZNDTAVITINDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-7-4-5-8(12-6-7)13-9(14)2-1-3-10(15)16/h4-6H,1-3H2,(H,15,16)(H,12,13,14).
What are the key properties of 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid?
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid has a molecular weight of 287.11 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 764849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).