1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid

C10H10ClNO2 — CID 58246219

IUPAC1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)n2)CCC1
InChIInChI=1S/C10H10ClNO2/c11-8-4-1-3-7(12-8)10(9(13)14)5-2-6-10/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyJTUQCPPIQIXLFE-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.24
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid

1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid (PubChem CID 58246219) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid
PubChem CID58246219
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)n2)CCC1
InChIInChI=1S/C10H10ClNO2/c11-8-4-1-3-7(12-8)10(9(13)14)5-2-6-10/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyJTUQCPPIQIXLFE-UHFFFAOYSA-N
XLogP2.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid (CID 58246219) is 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(Cl)n2)CCC1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid?
The InChIKey is JTUQCPPIQIXLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-4-1-3-7(12-8)10(9(13)14)5-2-6-10/h1,3-4H,2,5-6H2,(H,13,14).
What are the key properties of 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid?
1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid has a molecular weight of 211.65 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58246219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).