4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine

C14H14N2O — CID 3816221

IUPAC4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine
SMILESCOc1ccc(N2CC2c2ccncc2)cc1
InChIInChI=1S/C14H14N2O/c1-17-13-4-2-12(3-5-13)16-10-14(16)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3
InChIKeySENONULVWRXSKV-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.65
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine

4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine (PubChem CID 3816221) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine
PubChem CID3816221
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine
SMILESCOc1ccc(N2CC2c2ccncc2)cc1
InChIInChI=1S/C14H14N2O/c1-17-13-4-2-12(3-5-13)16-10-14(16)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3
InChIKeySENONULVWRXSKV-UHFFFAOYSA-N
XLogP2.65
TPSA25.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine?
The IUPAC name of 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine (CID 3816221) is 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine is COc1ccc(N2CC2c2ccncc2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine?
The InChIKey is SENONULVWRXSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-17-13-4-2-12(3-5-13)16-10-14(16)11-6-8-15-9-7-11/h2-9,14H,10H2,1H3.
What are the key properties of 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine?
4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)aziridin-2-yl]pyridine is sourced from PubChem (CID 3816221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).