3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid

C10H7BrN2O3 — CID 165454204

IUPAC3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cccnc2Br)c1C(=O)O
InChIInChI=1S/C10H7BrN2O3/c1-5-7(10(14)15)8(13-16-5)6-3-2-4-12-9(6)11/h2-4H,1H3,(H,14,15)
InChIKeyHQNRNOZPAGNQTD-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.51
Rot. Bonds2

About 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 165454204) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID165454204
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2cccnc2Br)c1C(=O)O
InChIInChI=1S/C10H7BrN2O3/c1-5-7(10(14)15)8(13-16-5)6-3-2-4-12-9(6)11/h2-4H,1H3,(H,14,15)
InChIKeyHQNRNOZPAGNQTD-UHFFFAOYSA-N
XLogP2.51
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
CID 86037624
3-bromo-5-methyl-1,2-oxazole-4-carboxylic acid
CID 10798301
methyl 3-(2-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 57425435
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
3-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 82371650
1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 67420541
3-(5-bromothieno[3,2-b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 90299202
2-(3,5-dimethyl-1,2-oxazol-4-yl)pyridine-3-carboxylic acid
CID 53222591
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
3-(3-ethyl-1-methylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 112671315
2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 121472574
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 165454204) is 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2cccnc2Br)c1C(=O)O.
What is the InChIKey of 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is HQNRNOZPAGNQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-5-7(10(14)15)8(13-16-5)6-3-2-4-12-9(6)11/h2-4H,1H3,(H,14,15).
What are the key properties of 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 283.08 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 165454204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).