6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid

C10H10ClNO3 — CID 63376632

IUPAC6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1OC1CCC1
InChIInChI=1S/C10H10ClNO3/c11-8-5-4-7(10(13)14)9(12-8)15-6-2-1-3-6/h4-6H,1-3H2,(H,13,14)
InChIKeyFZLADSJVOIUUHJ-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.36
Rot. Bonds3

About 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid

6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid (PubChem CID 63376632) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid
PubChem CID63376632
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1OC1CCC1
InChIInChI=1S/C10H10ClNO3/c11-8-5-4-7(10(13)14)9(12-8)15-6-2-1-3-6/h4-6H,1-3H2,(H,13,14)
InChIKeyFZLADSJVOIUUHJ-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid (CID 63376632) is 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid is O=C(O)c1ccc(Cl)nc1OC1CCC1.
What is the InChIKey of 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid?
The InChIKey is FZLADSJVOIUUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c11-8-5-4-7(10(13)14)9(12-8)15-6-2-1-3-6/h4-6H,1-3H2,(H,13,14).
What are the key properties of 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid?
6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid has a molecular weight of 227.65 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclobutyloxypyridine-3-carboxylic acid is sourced from PubChem (CID 63376632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).