2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid

C10H11BrN2O4 — CID 66465881

IUPAC2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc(Br)nc1)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-5(14)8(10(16)17)13-9(15)6-2-3-7(11)12-4-6/h2-5,8,14H,1H3,(H,13,15)(H,16,17)
InChIKeyFDIAKDZGFPJTTD-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.41
Rot. Bonds4

About 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid

2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 66465881) has the molecular formula C10H11BrN2O4 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID66465881
Molecular FormulaC10H11BrN2O4
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1ccc(Br)nc1)C(=O)O
InChIInChI=1S/C10H11BrN2O4/c1-5(14)8(10(16)17)13-9(15)6-2-3-7(11)12-4-6/h2-5,8,14H,1H3,(H,13,15)(H,16,17)
InChIKeyFDIAKDZGFPJTTD-UHFFFAOYSA-N
XLogP0.41
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 23364988
(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxybutanoic acid
CID 115353629
(2S)-2-[(6-fluoropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 103804178
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid (CID 66465881) is 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)c1ccc(Br)nc1)C(=O)O.
What is the InChIKey of 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is FDIAKDZGFPJTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4/c1-5(14)8(10(16)17)13-9(15)6-2-3-7(11)12-4-6/h2-5,8,14H,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 303.11 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 66465881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).