2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid

C11H14BrNO2 — CID 83903749

IUPAC2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid
SMILESCc1ccc(Br)c(C(C(=O)O)C(C)C)n1
InChIInChI=1S/C11H14BrNO2/c1-6(2)9(11(14)15)10-8(12)5-4-7(3)13-10/h4-6,9H,1-3H3,(H,14,15)
InChIKeyNVPBDOHTTGBXDY-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.98
Rot. Bonds3

About 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid

2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid (PubChem CID 83903749) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid
PubChem CID83903749
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid
SMILESCc1ccc(Br)c(C(C(=O)O)C(C)C)n1
InChIInChI=1S/C11H14BrNO2/c1-6(2)9(11(14)15)10-8(12)5-4-7(3)13-10/h4-6,9H,1-3H3,(H,14,15)
InChIKeyNVPBDOHTTGBXDY-UHFFFAOYSA-N
XLogP2.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-1-methylpyrazol-3-yl)-3-methylbutanoic acid
CID 83902013
2-(3-bromo-2-hydroxy-6-methylphenyl)-3-methylbutanoic acid
CID 84813995
2-[(2-bromo-6-methyl-3-pyridinyl)oxy]-3,3-dimethylbutanoic acid
CID 87234975
2-(2-bromo-6-hydroxy-3-methylphenyl)-3-methylbutanoic acid
CID 84813993
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
4-(4-bromo-3-methylphenyl)-5-methylhexan-3-one
CID 83936295
2-[hydroxy-(2-methylquinolin-6-yl)methyl]-3-methylbutanoic acid
CID 105379523
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
2-(4-bromo-2-hydroxyphenyl)-3-methylbutanoic acid
CID 82625942
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 136564699
2-(4-bromo-2,3-dimethylphenoxy)-3-methylbutanoic acid
CID 20992200

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid?
The IUPAC name of 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid (CID 83903749) is 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid?
The canonical SMILES for 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid is Cc1ccc(Br)c(C(C(=O)O)C(C)C)n1.
What is the InChIKey of 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid?
The InChIKey is NVPBDOHTTGBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-6(2)9(11(14)15)10-8(12)5-4-7(3)13-10/h4-6,9H,1-3H3,(H,14,15).
What are the key properties of 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid?
2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid has a molecular weight of 272.14 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-methyl-2-pyridinyl)-3-methylbutanoic acid is sourced from PubChem (CID 83903749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).