(2-chloro-4-pyridinyl) cyclopentanecarboxylate

C11H12ClNO2 — CID 174614850

IUPAC(2-chloro-4-pyridinyl) cyclopentanecarboxylate
SMILESO=C(Oc1ccnc(Cl)c1)C1CCCC1
InChIInChI=1S/C11H12ClNO2/c12-10-7-9(5-6-13-10)15-11(14)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyTXWTZMQBDWQWKF-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.83
Rot. Bonds2

About (2-chloro-4-pyridinyl) cyclopentanecarboxylate

(2-chloro-4-pyridinyl) cyclopentanecarboxylate (PubChem CID 174614850) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl) cyclopentanecarboxylate
PubChem CID174614850
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name(2-chloro-4-pyridinyl) cyclopentanecarboxylate
SMILESO=C(Oc1ccnc(Cl)c1)C1CCCC1
InChIInChI=1S/C11H12ClNO2/c12-10-7-9(5-6-13-10)15-11(14)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyTXWTZMQBDWQWKF-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-4-pyridinyl) cyclopentanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl cyclohexanecarboxylate
CID 151250371
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311
(2,4,6-trichlorophenyl) cyclopentanecarboxylate
CID 55335085
hydron;phenyl cycloheptanecarboxylate
CID 174768034
[4-(cyclohexanecarbonyloxy)-3-methylphenyl] cyclohexanecarboxylate
CID 849296
(4-bromo-2-pyridinyl) cyclobutanecarboxylate
CID 175605072
1,3-benzoxazol-5-yl cyclobutanecarboxylate
CID 110494343
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
(3-prop-2-enoyloxyphenyl) cyclohexanecarboxylate
CID 91698143
(3,5-diphenylphenyl) cyclopentanecarboxylate
CID 44572266
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl) cyclopentanecarboxylate?
The IUPAC name of (2-chloro-4-pyridinyl) cyclopentanecarboxylate (CID 174614850) is (2-chloro-4-pyridinyl) cyclopentanecarboxylate.
What is the SMILES notation for (2-chloro-4-pyridinyl) cyclopentanecarboxylate?
The canonical SMILES for (2-chloro-4-pyridinyl) cyclopentanecarboxylate is O=C(Oc1ccnc(Cl)c1)C1CCCC1.
What is the InChIKey of (2-chloro-4-pyridinyl) cyclopentanecarboxylate?
The InChIKey is TXWTZMQBDWQWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-10-7-9(5-6-13-10)15-11(14)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of (2-chloro-4-pyridinyl) cyclopentanecarboxylate?
(2-chloro-4-pyridinyl) cyclopentanecarboxylate has a molecular weight of 225.67 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl) cyclopentanecarboxylate is sourced from PubChem (CID 174614850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).