2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine

C12H13N3 — CID 55263412

IUPAC2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine
SMILESCc1cccc(-n2cccc2[C@H]2CN2)n1
InChIInChI=1S/C12H13N3/c1-9-4-2-6-12(14-9)15-7-3-5-11(15)10-8-13-10/h2-7,10,13H,8H2,1H3/t10-/m1/s1
InChIKeyKAICJELMJUYTOA-SNVBAGLBSA-N
MW199.26 g/mol
LogP1.83
Rot. Bonds2

About 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine

2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine (PubChem CID 55263412) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine
PubChem CID55263412
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine
SMILESCc1cccc(-n2cccc2[C@H]2CN2)n1
InChIInChI=1S/C12H13N3/c1-9-4-2-6-12(14-9)15-7-3-5-11(15)10-8-13-10/h2-7,10,13H,8H2,1H3/t10-/m1/s1
InChIKeyKAICJELMJUYTOA-SNVBAGLBSA-N
XLogP1.83
TPSA39.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine?
The IUPAC name of 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine (CID 55263412) is 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine.
What is the SMILES notation for 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine?
The canonical SMILES for 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine is Cc1cccc(-n2cccc2[C@H]2CN2)n1.
What is the InChIKey of 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine?
The InChIKey is KAICJELMJUYTOA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-4-2-6-12(14-9)15-7-3-5-11(15)10-8-13-10/h2-7,10,13H,8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine?
2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine has a molecular weight of 199.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-aziridin-2-yl]pyrrol-1-yl]-6-methylpyridine is sourced from PubChem (CID 55263412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).