(2S)-2-(5-chloro-2-nitrophenyl)aziridine

C8H7ClN2O2 — CID 55263842

IUPAC(2S)-2-(5-chloro-2-nitrophenyl)aziridine
SMILESO=[N+]([O-])c1ccc(Cl)cc1[C@H]1CN1
InChIInChI=1S/C8H7ClN2O2/c9-5-1-2-8(11(12)13)6(3-5)7-4-10-7/h1-3,7,10H,4H2/t7-/m1/s1
InChIKeyFRAJPWCYVBKVIG-SSDOTTSWSA-N
MW198.61 g/mol
LogP1.89
Rot. Bonds2

About (2S)-2-(5-chloro-2-nitrophenyl)aziridine

(2S)-2-(5-chloro-2-nitrophenyl)aziridine (PubChem CID 55263842) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is (2S)-2-(5-chloro-2-nitrophenyl)aziridine.

Molecular Properties

Compound Name(2S)-2-(5-chloro-2-nitrophenyl)aziridine
PubChem CID55263842
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name(2S)-2-(5-chloro-2-nitrophenyl)aziridine
SMILESO=[N+]([O-])c1ccc(Cl)cc1[C@H]1CN1
InChIInChI=1S/C8H7ClN2O2/c9-5-1-2-8(11(12)13)6(3-5)7-4-10-7/h1-3,7,10H,4H2/t7-/m1/s1
InChIKeyFRAJPWCYVBKVIG-SSDOTTSWSA-N
XLogP1.89
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(5-chloro-2-nitrophenyl)piperazine;hydrochloride
CID 171193773
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
4-chloro-2-(5-chloro-2-nitrophenyl)piperidine
CID 10731076
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 118276984
4-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
CID 171193759
4-chloro-1-cyclopropyl-2-nitrobenzene
CID 130133348
CID 58762875
CID 58762875
(2S)-2-(4-chloro-2-fluorophenyl)aziridine
CID 55264086
5-(5-chloro-2-nitrophenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115471898
3-(5-chloro-2-nitrophenyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 71870854

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-2-nitrophenyl)aziridine?
The IUPAC name of (2S)-2-(5-chloro-2-nitrophenyl)aziridine (CID 55263842) is (2S)-2-(5-chloro-2-nitrophenyl)aziridine.
What is the SMILES notation for (2S)-2-(5-chloro-2-nitrophenyl)aziridine?
The canonical SMILES for (2S)-2-(5-chloro-2-nitrophenyl)aziridine is O=[N+]([O-])c1ccc(Cl)cc1[C@H]1CN1.
What is the InChIKey of (2S)-2-(5-chloro-2-nitrophenyl)aziridine?
The InChIKey is FRAJPWCYVBKVIG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-5-1-2-8(11(12)13)6(3-5)7-4-10-7/h1-3,7,10H,4H2/t7-/m1/s1.
What are the key properties of (2S)-2-(5-chloro-2-nitrophenyl)aziridine?
(2S)-2-(5-chloro-2-nitrophenyl)aziridine has a molecular weight of 198.61 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-chloro-2-nitrophenyl)aziridine is sourced from PubChem (CID 55263842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).