1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol

C10H13N3O4 — CID 106673378

IUPAC1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
SMILESCc1cc([N+](=O)[O-])cnc1N1CC(O)C(O)C1
InChIInChI=1S/C10H13N3O4/c1-6-2-7(13(16)17)3-11-10(6)12-4-8(14)9(15)5-12/h2-3,8-9,14-15H,4-5H2,1H3
InChIKeyLJOIPVMVJYFCTE-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.16
Rot. Bonds2

About 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol

1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol (PubChem CID 106673378) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
PubChem CID106673378
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
SMILESCc1cc([N+](=O)[O-])cnc1N1CC(O)C(O)C1
InChIInChI=1S/C10H13N3O4/c1-6-2-7(13(16)17)3-11-10(6)12-4-8(14)9(15)5-12/h2-3,8-9,14-15H,4-5H2,1H3
InChIKeyLJOIPVMVJYFCTE-UHFFFAOYSA-N
XLogP-0.16
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755
N-methyl-1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-amine
CID 62545492
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62663995
2-methyl-N-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanamide
CID 133354655
3-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 62476675
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-2-carboxylic acid
CID 62477365
1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 79535406
(3S,5R)-1-(3-bromo-5-nitro-2-pyridinyl)-3,5-dimethylpiperazine
CID 126816100
2-methyl-2-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 63343699
1-(3-methyl-5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326898
1-(3-methyl-5-nitro-2-pyridinyl)-4-propyl-1,4-diazepane
CID 133322502
1-(3-bromo-5-nitro-2-pyridinyl)piperidin-4-ol
CID 79523536

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol (CID 106673378) is 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol is Cc1cc([N+](=O)[O-])cnc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol?
The InChIKey is LJOIPVMVJYFCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-2-7(13(16)17)3-11-10(6)12-4-8(14)9(15)5-12/h2-3,8-9,14-15H,4-5H2,1H3.
What are the key properties of 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol?
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol has a molecular weight of 239.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).