4-ethenyl-2-methyl-3-nitropyridine

C8H8N2O2 — CID 74889105

IUPAC4-ethenyl-2-methyl-3-nitropyridine
SMILESC=Cc1ccnc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O2/c1-3-7-4-5-9-6(2)8(7)10(11)12/h3-5H,1H2,2H3
InChIKeyVQLRAKMEZKIPEE-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.94
Rot. Bonds2

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

4-ethenyl-2-methyl-3-nitropyridine (PubChem CID 74889105) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-3-nitropyridine.

Molecular Properties

Compound Name4-ethenyl-2-methyl-3-nitropyridine
PubChem CID74889105
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-ethenyl-2-methyl-3-nitropyridine
SMILESC=Cc1ccnc(C)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O2/c1-3-7-4-5-9-6(2)8(7)10(11)12/h3-5H,1H2,2H3
InChIKeyVQLRAKMEZKIPEE-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

N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine
CID 137228243
4-ethenyl-3-nitro-2-phenylmethoxypyridine
CID 170324419
3-ethenyl-4-methyl-2-nitropyridine
CID 74888397
1-(2-methyl-3-nitro-4-pyridinyl)propan-2-one
CID 21364026
6-bromo-1-methyl-5-nitroisoquinoline
CID 154728520
6-ethenyl-1-methyl-7-nitroindazole
CID 137443537
N-(4-fluorophenyl)-2-methyl-3-nitropyridin-4-amine
CID 150801431
2-ethenyl-4-nitropyridin-3-amine
CID 74891834
3-chloro-2-methyl-4-nitropyridine
CID 21364039
1-ethenyl-3-ethoxy-4-methoxy-2-nitrobenzene
CID 91402986
3-ethenyl-N-ethyl-2-nitroaniline
CID 147627108
6-methyl-5-nitroquinoxaline
CID 55271660

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-3-nitropyridine?
The IUPAC name of 4-ethenyl-2-methyl-3-nitropyridine (CID 74889105) is 4-ethenyl-2-methyl-3-nitropyridine.
What is the SMILES notation for 4-ethenyl-2-methyl-3-nitropyridine?
The canonical SMILES for 4-ethenyl-2-methyl-3-nitropyridine is C=Cc1ccnc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-ethenyl-2-methyl-3-nitropyridine?
The InChIKey is VQLRAKMEZKIPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-7-4-5-9-6(2)8(7)10(11)12/h3-5H,1H2,2H3.
What are the key properties of 4-ethenyl-2-methyl-3-nitropyridine?
4-ethenyl-2-methyl-3-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 4-ethenyl-2-methyl-3-nitropyridine is sourced from PubChem (CID 74889105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).