2-[(3-bromo-2-pyridinyl)amino]hexanoic acid

C11H15BrN2O2 — CID 122060294

IUPAC2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
SMILESCCCCC(Nc1ncccc1Br)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-2-3-6-9(11(15)16)14-10-8(12)5-4-7-13-10/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGONXLROEFOSMAA-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid

2-[(3-bromo-2-pyridinyl)amino]hexanoic acid (PubChem CID 122060294) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
PubChem CID122060294
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
SMILESCCCCC(Nc1ncccc1Br)C(=O)O
InChIInChI=1S/C11H15BrN2O2/c1-2-3-6-9(11(15)16)14-10-8(12)5-4-7-13-10/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyGONXLROEFOSMAA-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dibromoanilino)hexanoic acid
CID 107601030
2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
CID 121204712
2-[(3-bromo-2-pyridinyl)amino]-N-methylbutanamide
CID 164664153
2-(3-bromo-2-methylanilino)hexanoic acid
CID 107636470
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[(3-bromo-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 122062843
2-[(7-hydroxyisoquinolin-1-yl)amino]hexanoic acid
CID 106535962
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
5-amino-N-(3-bromo-2-pyridinyl)-2-methylpentanamide
CID 104685237
2-[(3-bromo-2-fluorobenzoyl)amino]hexanoic acid
CID 107948998
2-[(5-bromoisoquinolin-1-yl)amino]butanoic acid
CID 106535952
2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
CID 43517093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid (CID 122060294) is 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid is CCCCC(Nc1ncccc1Br)C(=O)O.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid?
The InChIKey is GONXLROEFOSMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-3-6-9(11(15)16)14-10-8(12)5-4-7-13-10/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid?
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 122060294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).