5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid

C10H7ClN2O3 — CID 58539514

IUPAC5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(Cl)nc2)c1C(=O)O
InChIInChI=1S/C10H7ClN2O3/c1-5-8(10(14)15)9(16-13-5)6-2-3-7(11)12-4-6/h2-4H,1H3,(H,14,15)
InChIKeyVYEJAQFHFAJAMN-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.40
Rot. Bonds2

About 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid

5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 58539514) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID58539514
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(Cl)nc2)c1C(=O)O
InChIInChI=1S/C10H7ClN2O3/c1-5-8(10(14)15)9(16-13-5)6-2-3-7(11)12-4-6/h2-4H,1H3,(H,14,15)
InChIKeyVYEJAQFHFAJAMN-UHFFFAOYSA-N
XLogP2.40
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid (CID 58539514) is 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc(-c2ccc(Cl)nc2)c1C(=O)O.
What is the InChIKey of 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is VYEJAQFHFAJAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-5-8(10(14)15)9(16-13-5)6-2-3-7(11)12-4-6/h2-4H,1H3,(H,14,15).
What are the key properties of 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid?
5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 238.63 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 58539514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).