3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol

C13H19N3O3 — CID 66279191

IUPAC3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1cnc(N2CCCC2CCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-10-8-12(16(18)19)13(14-9-10)15-6-2-4-11(15)5-3-7-17/h8-9,11,17H,2-7H2,1H3
InChIKeyAACLHPNZPIMXPG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.04
Rot. Bonds5

About 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 66279191) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID66279191
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1cnc(N2CCCC2CCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-10-8-12(16(18)19)13(14-9-10)15-6-2-4-11(15)5-3-7-17/h8-9,11,17H,2-7H2,1H3
InChIKeyAACLHPNZPIMXPG-UHFFFAOYSA-N
XLogP2.04
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.04
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 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol (CID 66279191) is 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol is Cc1cnc(N2CCCC2CCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is AACLHPNZPIMXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-8-12(16(18)19)13(14-9-10)15-6-2-4-11(15)5-3-7-17/h8-9,11,17H,2-7H2,1H3.
What are the key properties of 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 265.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 66279191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).