5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine

C8H8ClN3O2 — CID 130648559

IUPAC5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
SMILESO=[N+]([O-])c1cc([C@H]2CCN2)cnc1Cl
InChIInChI=1S/C8H8ClN3O2/c9-8-7(12(13)14)3-5(4-11-8)6-1-2-10-6/h3-4,6,10H,1-2H2/t6-/m1/s1
InChIKeyDYWNESDFAIPWRV-ZCFIWIBFSA-N
MW213.62 g/mol
LogP1.68
Rot. Bonds2

About 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine

5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine (PubChem CID 130648559) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
PubChem CID130648559
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
SMILESO=[N+]([O-])c1cc([C@H]2CCN2)cnc1Cl
InChIInChI=1S/C8H8ClN3O2/c9-8-7(12(13)14)3-5(4-11-8)6-1-2-10-6/h3-4,6,10H,1-2H2/t6-/m1/s1
InChIKeyDYWNESDFAIPWRV-ZCFIWIBFSA-N
XLogP1.68
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine (CID 130648559) is 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine is O=[N+]([O-])c1cc([C@H]2CCN2)cnc1Cl.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine?
The InChIKey is DYWNESDFAIPWRV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-8-7(12(13)14)3-5(4-11-8)6-1-2-10-6/h3-4,6,10H,1-2H2/t6-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine?
5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine has a molecular weight of 213.62 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine is sourced from PubChem (CID 130648559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).