3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol

C13H19N3O3 — CID 83271926

IUPAC3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1cnc(N2CCCC2CCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10-9-14-13(8-12(10)16(18)19)15-6-2-4-11(15)5-3-7-17/h8-9,11,17H,2-7H2,1H3
InChIKeyOHLNMRMUEKHBDU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.04
Rot. Bonds5

About 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 83271926) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID83271926
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
SMILESCc1cnc(N2CCCC2CCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C13H19N3O3/c1-10-9-14-13(8-12(10)16(18)19)15-6-2-4-11(15)5-3-7-17/h8-9,11,17H,2-7H2,1H3
InChIKeyOHLNMRMUEKHBDU-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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Related Compounds

3-[1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 66279191
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
3-[1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol
CID 62477248
2-[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-3-yl]ethanol
CID 83271881
3-[1-(2-chloro-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 114043276
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 83259903
3-[1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-2-yl]propan-1-ol
CID 107260597
[1-(5-methyl-4-nitro-2-pyridinyl)azetidin-3-yl]methanol
CID 83271569
3-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-2-yl]propan-1-ol
CID 163219842
(2S)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964915
[4-methyl-1-(5-methyl-4-nitro-2-pyridinyl)piperazin-2-yl]methanamine
CID 83271655
3-[1-(3-ethoxy-5-nitrophenyl)pyrrolidin-2-yl]propan-1-ol
CID 80744420

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol (CID 83271926) is 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol is Cc1cnc(N2CCCC2CCCO)cc1[N+](=O)[O-].
What is the InChIKey of 3-[1-(5-methyl-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is OHLNMRMUEKHBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-9-14-13(8-12(10)16(18)19)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-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(5-methyl-4-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-4-nitro-2-pyridinyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 83271926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).