3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid

C10H13BrN2O3 — CID 122061079

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1nc(NCC(C)(O)C(=O)O)ccc1Br
InChIInChI=1S/C10H13BrN2O3/c1-6-7(11)3-4-8(13-6)12-5-10(2,16)9(14)15/h3-4,16H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCIUPHMGBHBAVDH-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.40
Rot. Bonds4

About 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122061079) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122061079
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCc1nc(NCC(C)(O)C(=O)O)ccc1Br
InChIInChI=1S/C10H13BrN2O3/c1-6-7(11)3-4-8(13-6)12-5-10(2,16)9(14)15/h3-4,16H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyCIUPHMGBHBAVDH-UHFFFAOYSA-N
XLogP1.40
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
5-bromo-6-methyl-N-(2,2,3,3-tetramethylbutyl)pyridin-2-amine
CID 115148384
1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254505
N'-(5-bromo-6-methyl-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 114164178
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
3-(4-bromo-3-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643683
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
3-[(2-bromo-5-methylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 81109719
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
CID 133451908
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 122061079) is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid is Cc1nc(NCC(C)(O)C(=O)O)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is CIUPHMGBHBAVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-6-7(11)3-4-8(13-6)12-5-10(2,16)9(14)15/h3-4,16H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 289.13 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122061079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).