5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid

C9H6BrN3O3 — CID 118470114

IUPAC5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid
SMILESNc1ncc(Br)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C9H6BrN3O3/c10-4-1-5(8(11)12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H2,11,12)(H,14,15)
InChIKeyYUSYEKUDNPDLDE-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.78
Rot. Bonds2

About 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid

5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 118470114) has the molecular formula C9H6BrN3O3 and a molecular weight of 284.07 g/mol. Its IUPAC name is 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid
PubChem CID118470114
Molecular FormulaC9H6BrN3O3
Molecular Weight284.07 g/mol
Exact Mass282.96
IUPAC Name5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid
SMILESNc1ncc(Br)cc1-c1cc(C(=O)O)no1
InChIInChI=1S/C9H6BrN3O3/c10-4-1-5(8(11)12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H2,11,12)(H,14,15)
InChIKeyYUSYEKUDNPDLDE-UHFFFAOYSA-N
XLogP1.78
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(3-propan-2-yl-1,2-oxazol-5-yl)pyridin-2-amine
CID 118469993
5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
4-(2-amino-5-bromo-3-pyridinyl)-2,6-difluorobenzoic acid
CID 118054629
5-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998223
5-(5-bromo-2-methoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496634
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-[5-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496616
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-[5-bromo-4-hydroxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 136998286
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(3-bromo-2-fluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117482852

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid (CID 118470114) is 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid is Nc1ncc(Br)cc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is YUSYEKUDNPDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O3/c10-4-1-5(8(11)12-3-4)7-2-6(9(14)15)13-16-7/h1-3H,(H2,11,12)(H,14,15).
What are the key properties of 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid?
5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 284.07 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118470114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).