4-methyl-3-nitro-2-prop-1-en-2-ylpyridine

C9H10N2O2 — CID 67042928

IUPAC4-methyl-3-nitro-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O2/c1-6(2)8-9(11(12)13)7(3)4-5-10-8/h4-5H,1H2,2-3H3
InChIKeyNTLCFVKVWHICEX-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.33
Rot. Bonds2

About 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine

4-methyl-3-nitro-2-prop-1-en-2-ylpyridine (PubChem CID 67042928) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name4-methyl-3-nitro-2-prop-1-en-2-ylpyridine
PubChem CID67042928
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-methyl-3-nitro-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O2/c1-6(2)8-9(11(12)13)7(3)4-5-10-8/h4-5H,1H2,2-3H3
InChIKeyNTLCFVKVWHICEX-UHFFFAOYSA-N
XLogP2.33
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine?
The IUPAC name of 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine (CID 67042928) is 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine is C=C(C)c1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine?
The InChIKey is NTLCFVKVWHICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(2)8-9(11(12)13)7(3)4-5-10-8/h4-5H,1H2,2-3H3.
What are the key properties of 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine?
4-methyl-3-nitro-2-prop-1-en-2-ylpyridine has a molecular weight of 178.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 67042928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).