(6-chloro-2-pyridinyl) cyclobutanecarboxylate

C10H10ClNO2 — CID 174618359

IUPAC(6-chloro-2-pyridinyl) cyclobutanecarboxylate
SMILESO=C(Oc1cccc(Cl)n1)C1CCC1
InChIInChI=1S/C10H10ClNO2/c11-8-5-2-6-9(12-8)14-10(13)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyKTQSVHZCDVMHQN-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.44
Rot. Bonds2

About (6-chloro-2-pyridinyl) cyclobutanecarboxylate

(6-chloro-2-pyridinyl) cyclobutanecarboxylate (PubChem CID 174618359) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl) cyclobutanecarboxylate.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl) cyclobutanecarboxylate
PubChem CID174618359
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(6-chloro-2-pyridinyl) cyclobutanecarboxylate
SMILESO=C(Oc1cccc(Cl)n1)C1CCC1
InChIInChI=1S/C10H10ClNO2/c11-8-5-2-6-9(12-8)14-10(13)7-3-1-4-7/h2,5-7H,1,3-4H2
InChIKeyKTQSVHZCDVMHQN-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.44
H-Bond Donors ≤ 50
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-pyridinyl) cyclobutanecarboxylate?
The IUPAC name of (6-chloro-2-pyridinyl) cyclobutanecarboxylate (CID 174618359) is (6-chloro-2-pyridinyl) cyclobutanecarboxylate.
What is the SMILES notation for (6-chloro-2-pyridinyl) cyclobutanecarboxylate?
The canonical SMILES for (6-chloro-2-pyridinyl) cyclobutanecarboxylate is O=C(Oc1cccc(Cl)n1)C1CCC1.
What is the InChIKey of (6-chloro-2-pyridinyl) cyclobutanecarboxylate?
The InChIKey is KTQSVHZCDVMHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-5-2-6-9(12-8)14-10(13)7-3-1-4-7/h2,5-7H,1,3-4H2.
What are the key properties of (6-chloro-2-pyridinyl) cyclobutanecarboxylate?
(6-chloro-2-pyridinyl) cyclobutanecarboxylate has a molecular weight of 211.65 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl) cyclobutanecarboxylate is sourced from PubChem (CID 174618359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).