(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide

C10H13BrN2O2 — CID 124640256

IUPAC(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
SMILESCC[C@](C)(O)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-3-10(2,15)9(14)13-7-4-5-12-8(11)6-7/h4-6,15H,3H2,1-2H3,(H,12,13,14)/t10-/m0/s1
InChIKeyYECGKKJPJXKEDT-JTQLQIEISA-N
MW273.13 g/mol
LogP1.94
Rot. Bonds3

About (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide

(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide (PubChem CID 124640256) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
PubChem CID124640256
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
SMILESCC[C@](C)(O)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-3-10(2,15)9(14)13-7-4-5-12-8(11)6-7/h4-6,15H,3H2,1-2H3,(H,12,13,14)/t10-/m0/s1
InChIKeyYECGKKJPJXKEDT-JTQLQIEISA-N
XLogP1.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
CID 71558084
(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
CID 129406934
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
N-(2-bromo-4-pyridinyl)-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 169024637
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)butanamide
CID 58773677
(2S)-N-(2-bromo-6-methoxy-4-pyridinyl)-2-hydroxy-2-methylpentanamide
CID 129406940
(2S)-N-(3-chloro-4-isocyanophenyl)-2-hydroxy-2-methylbutanamide;methane
CID 160756711
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
(2S)-2-hydroxy-2-methyl-3-nitro-N-pyridin-4-ylpropanamide
CID 164680328

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide?
The IUPAC name of (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide (CID 124640256) is (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide?
The canonical SMILES for (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide is CC[C@](C)(O)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide?
The InChIKey is YECGKKJPJXKEDT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-3-10(2,15)9(14)13-7-4-5-12-8(11)6-7/h4-6,15H,3H2,1-2H3,(H,12,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide?
(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide has a molecular weight of 273.13 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide is sourced from PubChem (CID 124640256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).