2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine

C10H11N5O2 — CID 170485626

IUPAC2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
SMILESCc1cc(C=CCCN=[N+]=[N-])ncc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-8-6-9(4-2-3-5-13-14-11)12-7-10(8)15(16)17/h2,4,6-7H,3,5H2,1H3
InChIKeyQQHHTRXOGCAGAU-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine

2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine (PubChem CID 170485626) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
PubChem CID170485626
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
SMILESCc1cc(C=CCCN=[N+]=[N-])ncc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-8-6-9(4-2-3-5-13-14-11)12-7-10(8)15(16)17/h2,4,6-7H,3,5H2,1H3
InChIKeyQQHHTRXOGCAGAU-UHFFFAOYSA-N
XLogP3.01
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
CID 170487275
4-(4-azidobut-1-enyl)-1-methyl-2-nitrobenzene
CID 170485717
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
5-(4-azidobut-1-enyl)-2-nitrobenzaldehyde
CID 170485944
N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
CID 137239122
N-[4-(4-azidobut-1-enyl)-2-nitrophenyl]acetamide
CID 170486190
2-(4-azidobut-1-enyl)-3,5-dimethylpyridine
CID 170484989
4-(4-azidobut-1-enyl)-3-nitrobenzaldehyde
CID 170485947
5-(4-azidobut-1-enyl)-2-methoxy-3-methylpyridine
CID 170485359
1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene
CID 175369971
2-(4-azidobut-1-enyl)pyrazine
CID 150773424
2-(4-azidobut-1-enyl)-6-methylpyridine
CID 170484756

Frequently Asked Questions

What is the IUPAC name of 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine?
The IUPAC name of 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine (CID 170485626) is 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine.
What is the SMILES notation for 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine?
The canonical SMILES for 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine is Cc1cc(C=CCCN=[N+]=[N-])ncc1[N+](=O)[O-].
What is the InChIKey of 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine?
The InChIKey is QQHHTRXOGCAGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-8-6-9(4-2-3-5-13-14-11)12-7-10(8)15(16)17/h2,4,6-7H,3,5H2,1H3.
What are the key properties of 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine?
2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine has a molecular weight of 233.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine is sourced from PubChem (CID 170485626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).