2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C10H8BrF3N2O3 — CID 79793016

IUPAC2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccc(Br)cn1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H8BrF3N2O3/c1-9(8(18)19,10(12,13)14)16-7(17)6-3-2-5(11)4-15-6/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeyYFGFBDKJZHFRFL-UHFFFAOYSA-N
MW341.08 g/mol
LogP1.98
Rot. Bonds3

About 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79793016) has the molecular formula C10H8BrF3N2O3 and a molecular weight of 341.08 g/mol. Its IUPAC name is 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79793016
Molecular FormulaC10H8BrF3N2O3
Molecular Weight341.08 g/mol
Exact Mass339.97
IUPAC Name2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccc(Br)cn1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C10H8BrF3N2O3/c1-9(8(18)19,10(12,13)14)16-7(17)6-3-2-5(11)4-15-6/h2-4H,1H3,(H,16,17)(H,18,19)
InChIKeyYFGFBDKJZHFRFL-UHFFFAOYSA-N
XLogP1.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.08
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 115606439
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
5-bromo-N-(1-bromo-3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106169604
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 64555627
N-(1-amino-1-oxo-2-phenylpropan-2-yl)-5-bromopyridine-2-carboxamide
CID 122156320
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186
3,3,3-trifluoro-2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 79796230
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
CID 79795224
2-bromo-1-(5-bromo-2-pyridinyl)-2-methylpropan-1-one
CID 164562677

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79793016) is 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC(NC(=O)c1ccc(Br)cn1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is YFGFBDKJZHFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O3/c1-9(8(18)19,10(12,13)14)16-7(17)6-3-2-5(11)4-15-6/h2-4H,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 341.08 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyridine-2-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79793016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).