2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine

C13H17ClN2O — CID 178122839

IUPAC2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine
SMILESCN1CCOC(C2CC2c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H17ClN2O/c1-16-4-5-17-12(8-16)11-6-10(11)9-2-3-13(14)15-7-9/h2-3,7,10-12H,4-6,8H2,1H3
InChIKeyCKIXVQPEDXQMQV-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.17
Rot. Bonds2

About 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine

2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine (PubChem CID 178122839) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine
PubChem CID178122839
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine
SMILESCN1CCOC(C2CC2c2ccc(Cl)nc2)C1
InChIInChI=1S/C13H17ClN2O/c1-16-4-5-17-12(8-16)11-6-10(11)9-2-3-13(14)15-7-9/h2-3,7,10-12H,4-6,8H2,1H3
InChIKeyCKIXVQPEDXQMQV-UHFFFAOYSA-N
XLogP2.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.17
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 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine?
The IUPAC name of 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine (CID 178122839) is 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine.
What is the SMILES notation for 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine?
The canonical SMILES for 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine is CN1CCOC(C2CC2c2ccc(Cl)nc2)C1.
What is the InChIKey of 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine?
The InChIKey is CKIXVQPEDXQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-16-4-5-17-12(8-16)11-6-10(11)9-2-3-13(14)15-7-9/h2-3,7,10-12H,4-6,8H2,1H3.
What are the key properties of 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine?
2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine has a molecular weight of 252.74 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-3-pyridinyl)cyclopropyl]-4-methylmorpholine is sourced from PubChem (CID 178122839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).