[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol

C10H13N3O3 — CID 44630404

IUPAC[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(N2CCC[C@H]2CO)nc1
InChIInChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)10-4-3-8(6-11-10)13(15)16/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKeyYBARIBJRNJYVTK-VIFPVBQESA-N
MW223.23 g/mol
LogP0.95
Rot. Bonds3

About [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol

[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol (PubChem CID 44630404) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
PubChem CID44630404
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(N2CCC[C@H]2CO)nc1
InChIInChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)10-4-3-8(6-11-10)13(15)16/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1
InChIKeyYBARIBJRNJYVTK-VIFPVBQESA-N
XLogP0.95
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol (CID 44630404) is [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol is O=[N+]([O-])c1ccc(N2CCC[C@H]2CO)nc1.
What is the InChIKey of [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol?
The InChIKey is YBARIBJRNJYVTK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)10-4-3-8(6-11-10)13(15)16/h3-4,6,9,14H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol has a molecular weight of 223.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 44630404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).