2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine

C10H10N4O2 — CID 71235421

IUPAC2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine
SMILESCc1cn(-c2ccc([N+](=O)[O-])c(C)n2)cn1
InChIInChI=1S/C10H10N4O2/c1-7-5-13(6-11-7)10-4-3-9(14(15)16)8(2)12-10/h3-6H,1-2H3
InChIKeyWLXFGHGMMCLKGH-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine

2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine (PubChem CID 71235421) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine
PubChem CID71235421
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine
SMILESCc1cn(-c2ccc([N+](=O)[O-])c(C)n2)cn1
InChIInChI=1S/C10H10N4O2/c1-7-5-13(6-11-7)10-4-3-9(14(15)16)8(2)12-10/h3-6H,1-2H3
InChIKeyWLXFGHGMMCLKGH-UHFFFAOYSA-N
XLogP1.79
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
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

1-(6-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 79021358
3,3-dimethyl-1-(6-methyl-5-nitro-2-pyridinyl)piperazine
CID 82994052
4-chloro-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168688188
3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 103764802
trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
CID 53484335
1-(6-methyl-5-nitro-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711787
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)azepan-4-ol
CID 107407455
4-methyl-1-(2,4,6-trifluoro-3-methyl-5-nitrophenyl)imidazole
CID 122639893
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
1-(3-bromo-5-nitrophenyl)-4-methylimidazole
CID 142426818
1-[5-[1-[bis(aziridin-1-yl)phosphoryloxy]ethyl]-2-nitrophenyl]-4-methylimidazole
CID 135133610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine?
The IUPAC name of 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine (CID 71235421) is 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine.
What is the SMILES notation for 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine?
The canonical SMILES for 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine is Cc1cn(-c2ccc([N+](=O)[O-])c(C)n2)cn1.
What is the InChIKey of 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine?
The InChIKey is WLXFGHGMMCLKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-5-13(6-11-7)10-4-3-9(14(15)16)8(2)12-10/h3-6H,1-2H3.
What are the key properties of 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine?
2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine has a molecular weight of 218.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine is sourced from PubChem (CID 71235421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).