5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid

C12H17BrN2O3 — CID 114154303

IUPAC5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(C)(CCO)Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O3/c1-3-12(2,4-5-16)15-10-9(11(17)18)6-8(13)7-14-10/h6-7,16H,3-5H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyWBPODKWNGOZLFF-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.51
Rot. Bonds6

About 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid

5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114154303) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114154303
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(C)(CCO)Nc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O3/c1-3-12(2,4-5-16)15-10-9(11(17)18)6-8(13)7-14-10/h6-7,16H,3-5H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyWBPODKWNGOZLFF-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 104762194
5-bromo-2-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63537700
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 63958295
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
5-bromo-3-fluoro-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329358
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
2-[(5-bromo-3-ethynyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 155162232
6-bromo-N-(1-hydroxy-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110002377
5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114096142
5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid (CID 114154303) is 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid is CCC(C)(CCO)Nc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is WBPODKWNGOZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-3-12(2,4-5-16)15-10-9(11(17)18)6-8(13)7-14-10/h6-7,16H,3-5H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 317.18 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114154303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).