3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol

C11H15N3O3 — CID 103764802

IUPAC3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(C)(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-8-9(14(16)17)3-4-10(12-8)13-6-5-11(2,15)7-13/h3-4,15H,5-7H2,1-2H3
InChIKeyKSMRSVAKEUKSHI-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.26
Rot. Bonds2

About 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol

3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol (PubChem CID 103764802) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol
PubChem CID103764802
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol
SMILESCc1nc(N2CCC(C)(O)C2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O3/c1-8-9(14(16)17)3-4-10(12-8)13-6-5-11(2,15)7-13/h3-4,15H,5-7H2,1-2H3
InChIKeyKSMRSVAKEUKSHI-UHFFFAOYSA-N
XLogP1.26
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.26
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'}

Analyze 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)azepan-4-ol
CID 107407455
3,3-dimethyl-1-(6-methyl-5-nitro-2-pyridinyl)piperazine
CID 82994052
1-(6-methyl-5-nitro-2-pyridinyl)-4-phenylazepan-4-ol
CID 119036369
1-(6-amino-5-nitro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407553
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
methyl 6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-2-carboxylate
CID 103356433
1-(6-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 79021358
3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol
CID 103357735
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
1-(3-iodo-4-nitrophenyl)-4-methylpiperidin-4-ol
CID 103761636
benzyl 4-(6-methyl-5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 133397615
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol (CID 103764802) is 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol is Cc1nc(N2CCC(C)(O)C2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
The InChIKey is KSMRSVAKEUKSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-9(14(16)17)3-4-10(12-8)13-6-5-11(2,15)7-13/h3-4,15H,5-7H2,1-2H3.
What are the key properties of 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol?
3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol has a molecular weight of 237.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 103764802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).