3-ethenyl-4-methyl-2-nitropyridine

C8H8N2O2 — CID 74888397

IUPAC3-ethenyl-4-methyl-2-nitropyridine
SMILESC=Cc1c(C)ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O2/c1-3-7-6(2)4-5-9-8(7)10(11)12/h3-5H,1H2,2H3
InChIKeyHRIBWACUQBRJND-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.94
Rot. Bonds2

About 3-ethenyl-4-methyl-2-nitropyridine

3-ethenyl-4-methyl-2-nitropyridine (PubChem CID 74888397) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-ethenyl-4-methyl-2-nitropyridine.

Molecular Properties

Compound Name3-ethenyl-4-methyl-2-nitropyridine
PubChem CID74888397
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-ethenyl-4-methyl-2-nitropyridine
SMILESC=Cc1c(C)ccnc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O2/c1-3-7-6(2)4-5-9-8(7)10(11)12/h3-5H,1H2,2H3
InChIKeyHRIBWACUQBRJND-UHFFFAOYSA-N
XLogP1.94
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-ethenyl-2-methyl-3-nitropyridine
CID 74889105
2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
3-ethenyl-2-ethoxy-4-methylpyridine
CID 74889642
N-(3,4-dimethyl-2-pyridinyl)nitramide
CID 174290384
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1,2-bis(ethenyl)-3-methyl-5-nitrobenzene
CID 142394225
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide
CID 67637181
2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2,4-dinitropyridine
CID 174686743

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-methyl-2-nitropyridine?
The IUPAC name of 3-ethenyl-4-methyl-2-nitropyridine (CID 74888397) is 3-ethenyl-4-methyl-2-nitropyridine.
What is the SMILES notation for 3-ethenyl-4-methyl-2-nitropyridine?
The canonical SMILES for 3-ethenyl-4-methyl-2-nitropyridine is C=Cc1c(C)ccnc1[N+](=O)[O-].
What is the InChIKey of 3-ethenyl-4-methyl-2-nitropyridine?
The InChIKey is HRIBWACUQBRJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-7-6(2)4-5-9-8(7)10(11)12/h3-5H,1H2,2H3.
What are the key properties of 3-ethenyl-4-methyl-2-nitropyridine?
3-ethenyl-4-methyl-2-nitropyridine has a molecular weight of 164.16 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-methyl-2-nitropyridine is sourced from PubChem (CID 74888397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).