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

C8H8N2O2 — CID 170548751

IUPAC3-nitro-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O2/c1-6(2)8-7(10(11)12)4-3-5-9-8/h3-5H,1H2,2H3
InChIKeyHEOZPKHZMFTEPV-UHFFFAOYSA-N
MW164.16 g/mol
LogP2.02
Rot. Bonds2

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

3-nitro-2-prop-1-en-2-ylpyridine (PubChem CID 170548751) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-nitro-2-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-nitro-2-prop-1-en-2-ylpyridine
PubChem CID170548751
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-nitro-2-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O2/c1-6(2)8-7(10(11)12)4-3-5-9-8/h3-5H,1H2,2H3
InChIKeyHEOZPKHZMFTEPV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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

chloro 3-nitropyridine-2-carboxylate
CID 174298858
1-(3-nitro-2-pyridinyl)-2-phenylethanone
CID 19034910
N-methyl-3-nitropyridin-2-amine
CID 556349
benzyl 3-nitropyridine-2-carboxylate
CID 19034701
2,3-dinitropyridine;hydrazine
CID 175406944
3-(3-nitro-2-pyridinyl)pentan-2-one
CID 63196316
3-nitro-N-octanoylpyridine-2-carboxamide
CID 21405364
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
3-nitro-2-nitrosopyridine
CID 140999580
2-fluoro-1-nitro-3-prop-1-en-2-ylbenzene
CID 70317435
CID 19910057
CID 19910057
1,1,1-trifluoro-3-(3-nitro-2-pyridinyl)propan-2-one
CID 117047413

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-prop-1-en-2-ylpyridine?
The IUPAC name of 3-nitro-2-prop-1-en-2-ylpyridine (CID 170548751) is 3-nitro-2-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-nitro-2-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-nitro-2-prop-1-en-2-ylpyridine is C=C(C)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-prop-1-en-2-ylpyridine?
The InChIKey is HEOZPKHZMFTEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-6(2)8-7(10(11)12)4-3-5-9-8/h3-5H,1H2,2H3.
What are the key properties of 3-nitro-2-prop-1-en-2-ylpyridine?
3-nitro-2-prop-1-en-2-ylpyridine has a molecular weight of 164.16 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-prop-1-en-2-ylpyridine is sourced from PubChem (CID 170548751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).