5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid

C11H15BrN2O3 — CID 104762194

IUPAC5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCOC(C)(C)CNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H15BrN2O3/c1-11(2,17-3)6-14-9-8(10(15)16)4-7(12)5-13-9/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMBRZHBRTFZXHAH-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.38
Rot. Bonds5

About 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid

5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid (PubChem CID 104762194) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
PubChem CID104762194
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
SMILESCOC(C)(C)CNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H15BrN2O3/c1-11(2,17-3)6-14-9-8(10(15)16)4-7(12)5-13-9/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyMBRZHBRTFZXHAH-UHFFFAOYSA-N
XLogP2.38
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-methoxybutylamino)pyridine-3-carboxylic acid
CID 62001365
5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991
5-bromo-2-(3-hydroxybutylamino)pyridine-3-carboxylic acid
CID 64912935
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-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
5-bromo-2-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 106261575
methyl 5-bromo-2-(ethylamino)pyridine-3-carboxylate
CID 130830671
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-fluoro-2-[(2-methoxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 105382642
5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114154303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid (CID 104762194) is 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid is COC(C)(C)CNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is MBRZHBRTFZXHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-11(2,17-3)6-14-9-8(10(15)16)4-7(12)5-13-9/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 303.16 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 104762194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).