5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid

C12H17BrN2O2 — CID 63958295

IUPAC5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(C)(C)N(C)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O2/c1-5-12(2,3)15(4)10-9(11(16)17)6-8(13)7-14-10/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyJUWYKRVZHCHZMV-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid

5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid (PubChem CID 63958295) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
PubChem CID63958295
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
SMILESCCC(C)(C)N(C)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O2/c1-5-12(2,3)15(4)10-9(11(16)17)6-8(13)7-14-10/h6-7H,5H2,1-4H3,(H,16,17)
InChIKeyJUWYKRVZHCHZMV-UHFFFAOYSA-N
XLogP3.17
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59700072
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5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
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5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
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5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
5-bromo-2-[(1-hydroxy-3-methylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114154303
5-bromo-2-[2-(dimethylamino)propylamino]pyridine-3-carboxylic acid
CID 62000794
5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid
CID 62000578
5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 62000773
5-bromo-N-methyl-N-(2-methylbutan-2-yl)pyrimidin-4-amine
CID 66319986
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid (CID 63958295) is 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid is CCC(C)(C)N(C)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is JUWYKRVZHCHZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-5-12(2,3)15(4)10-9(11(16)17)6-8(13)7-14-10/h6-7H,5H2,1-4H3,(H,16,17).
What are the key properties of 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 301.18 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63958295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).