2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine

C13H11ClN2 — CID 45115080

IUPAC2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine
SMILESClc1ccc([C@@H]2N[C@@H]2c2ccccn2)cc1
InChIInChI=1S/C13H11ClN2/c14-10-6-4-9(5-7-10)12-13(16-12)11-3-1-2-8-15-11/h1-8,12-13,16H/t12-,13+/m0/s1
InChIKeyNCHOENQTWRWQHF-QWHCGFSZSA-N
MW230.70 g/mol
LogP3.12
Rot. Bonds2

About 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine

2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine (PubChem CID 45115080) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine
PubChem CID45115080
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine
SMILESClc1ccc([C@@H]2N[C@@H]2c2ccccn2)cc1
InChIInChI=1S/C13H11ClN2/c14-10-6-4-9(5-7-10)12-13(16-12)11-3-1-2-8-15-11/h1-8,12-13,16H/t12-,13+/m0/s1
InChIKeyNCHOENQTWRWQHF-QWHCGFSZSA-N
XLogP3.12
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tripyridin-2-yl-1,3,5-triazinane
CID 3057069
2-chloro-6-(3-phenylaziridin-2-yl)pyridine
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2,4,6,8-tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 4050078
2-[(2R,4R)-4-(4-chlorophenyl)-3,4-dihydro-2H-chromen-2-yl]pyridine
CID 71568113
2-[(2R,3S,4R,5S)-5-(4-bromophenyl)-3-nitro-4-phenylpyrrolidin-2-yl]pyridine
CID 102263404
2-(diaziridin-3-yl)pyridine
CID 163685048
(1R,3S,3aR,6aS)-5-phenyl-3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 13181503
2-[4-(4-chlorophenyl)-1-methoxypiperidin-2-yl]pyridine
CID 54356229
1-(4-chlorophenyl)-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182587
1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182638
5-[5-(4-chlorophenyl)furan-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221467
7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 54509971

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine?
The IUPAC name of 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine (CID 45115080) is 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine.
What is the SMILES notation for 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine?
The canonical SMILES for 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine is Clc1ccc([C@@H]2N[C@@H]2c2ccccn2)cc1.
What is the InChIKey of 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine?
The InChIKey is NCHOENQTWRWQHF-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-10-6-4-9(5-7-10)12-13(16-12)11-3-1-2-8-15-11/h1-8,12-13,16H/t12-,13+/m0/s1.
What are the key properties of 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine?
2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine has a molecular weight of 230.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-(4-chlorophenyl)aziridin-2-yl]pyridine is sourced from PubChem (CID 45115080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).