1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde

C9H9N3O3 — CID 162681713

IUPAC1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde
SMILESO=CC1CN(c2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C9H9N3O3/c13-6-7-4-11(5-7)8-1-2-9(10-3-8)12(14)15/h1-3,6-7H,4-5H2
InChIKeyMTENSJRWBYZODR-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.62
Rot. Bonds3

About 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde

1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde (PubChem CID 162681713) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde
PubChem CID162681713
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde
SMILESO=CC1CN(c2ccc([N+](=O)[O-])nc2)C1
InChIInChI=1S/C9H9N3O3/c13-6-7-4-11(5-7)8-1-2-9(10-3-8)12(14)15/h1-3,6-7H,4-5H2
InChIKeyMTENSJRWBYZODR-UHFFFAOYSA-N
XLogP0.62
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110
1-(6-nitro-3-pyridinyl)piperidin-3-ol
CID 60631861
6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
CID 122520396
ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]benzonitrile
CID 154640970
CID 163911964
CID 163911964
2,2,2-trichloro-1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone
CID 28526793
2-[1-(6-nitro-3-pyridinyl)piperidin-4-yl]acetic acid
CID 79608617
3,3,5,5-tetradeuterio-1-(6-nitro-3-pyridinyl)piperazine
CID 162640866
5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
CID 118348190
butan-2-yl 2-(6-nitro-3-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 172859664
CID 169152785
CID 169152785

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde?
The IUPAC name of 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde (CID 162681713) is 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde.
What is the SMILES notation for 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde?
The canonical SMILES for 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde is O=CC1CN(c2ccc([N+](=O)[O-])nc2)C1.
What is the InChIKey of 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde?
The InChIKey is MTENSJRWBYZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-6-7-4-11(5-7)8-1-2-9(10-3-8)12(14)15/h1-3,6-7H,4-5H2.
What are the key properties of 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde?
1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde has a molecular weight of 207.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitro-3-pyridinyl)azetidine-3-carbaldehyde is sourced from PubChem (CID 162681713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).