5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

C11H9ClN2O3 — CID 25247590

IUPAC5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1noc2nc(C3CC3)c(Cl)c(C(=O)O)c12
InChIInChI=1S/C11H9ClN2O3/c1-4-6-7(11(15)16)8(12)9(5-2-3-5)13-10(6)17-14-4/h5H,2-3H2,1H3,(H,15,16)
InChIKeyHWZKCPMMPXGFLI-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.76
Rot. Bonds2

About 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 25247590) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID25247590
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Name5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
SMILESCc1noc2nc(C3CC3)c(Cl)c(C(=O)O)c12
InChIInChI=1S/C11H9ClN2O3/c1-4-6-7(11(15)16)8(12)9(5-2-3-5)13-10(6)17-14-4/h5H,2-3H2,1H3,(H,15,16)
InChIKeyHWZKCPMMPXGFLI-UHFFFAOYSA-N
XLogP2.76
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid (CID 25247590) is 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is Cc1noc2nc(C3CC3)c(Cl)c(C(=O)O)c12.
What is the InChIKey of 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is HWZKCPMMPXGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-4-6-7(11(15)16)8(12)9(5-2-3-5)13-10(6)17-14-4/h5H,2-3H2,1H3,(H,15,16).
What are the key properties of 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid?
5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 25247590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).