4-methyl-3-nitro-2-pyrrol-1-ylpyridine

C10H9N3O2 — CID 14222918

IUPAC4-methyl-3-nitro-2-pyrrol-1-ylpyridine
SMILESCc1ccnc(-n2cccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O2/c1-8-4-5-11-10(9(8)13(14)15)12-6-2-3-7-12/h2-7H,1H3
InChIKeyBSJDEUJISIOWPT-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.09
Rot. Bonds2

About 4-methyl-3-nitro-2-pyrrol-1-ylpyridine

4-methyl-3-nitro-2-pyrrol-1-ylpyridine (PubChem CID 14222918) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-methyl-3-nitro-2-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name4-methyl-3-nitro-2-pyrrol-1-ylpyridine
PubChem CID14222918
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name4-methyl-3-nitro-2-pyrrol-1-ylpyridine
SMILESCc1ccnc(-n2cccc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O2/c1-8-4-5-11-10(9(8)13(14)15)12-6-2-3-7-12/h2-7H,1H3
InChIKeyBSJDEUJISIOWPT-UHFFFAOYSA-N
XLogP2.09
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-methyl-3-nitro-2-pyrrol-1-ylpyridine?
The IUPAC name of 4-methyl-3-nitro-2-pyrrol-1-ylpyridine (CID 14222918) is 4-methyl-3-nitro-2-pyrrol-1-ylpyridine.
What is the SMILES notation for 4-methyl-3-nitro-2-pyrrol-1-ylpyridine?
The canonical SMILES for 4-methyl-3-nitro-2-pyrrol-1-ylpyridine is Cc1ccnc(-n2cccc2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-2-pyrrol-1-ylpyridine?
The InChIKey is BSJDEUJISIOWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-8-4-5-11-10(9(8)13(14)15)12-6-2-3-7-12/h2-7H,1H3.
What are the key properties of 4-methyl-3-nitro-2-pyrrol-1-ylpyridine?
4-methyl-3-nitro-2-pyrrol-1-ylpyridine has a molecular weight of 203.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-2-pyrrol-1-ylpyridine is sourced from PubChem (CID 14222918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).