3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid

C10H12BrNO2 — CID 83901573

IUPAC3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
SMILESCc1cc(CC(C)C(=O)O)ncc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-3-8(12-5-9(6)11)4-7(2)10(13)14/h3,5,7H,4H2,1-2H3,(H,13,14)
InChIKeyBCQUUABPIQRTJB-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.42
Rot. Bonds3

About 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid

3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid (PubChem CID 83901573) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
PubChem CID83901573
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid
SMILESCc1cc(CC(C)C(=O)O)ncc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-3-8(12-5-9(6)11)4-7(2)10(13)14/h3,5,7H,4H2,1-2H3,(H,13,14)
InChIKeyBCQUUABPIQRTJB-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
CID 131053081
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 114869053
3-(4-chloro-2-pyridinyl)-2-methylpropanoic acid
CID 115009281
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
5-bromo-2-[(2S)-2-cyclopropylpropyl]-4-methylpyridine
CID 159098732
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
(5-bromo-4-methyl-2-pyridinyl)-carboxycarbamic acid
CID 69045703
3-(5-methoxypyrazin-2-yl)-2-methylpropanoic acid
CID 83831149
3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
CID 84664754
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
3-(3-bromo-4-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 84714116
3-(4-bromo-2-hydroxy-3,6-dimethylphenyl)-2-methylpropanoic acid
CID 117463133

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid (CID 83901573) is 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid is Cc1cc(CC(C)C(=O)O)ncc1Br.
What is the InChIKey of 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid?
The InChIKey is BCQUUABPIQRTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-3-8(12-5-9(6)11)4-7(2)10(13)14/h3,5,7H,4H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid?
3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid has a molecular weight of 258.11 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 83901573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).