5-bromo-3-nitro-2-pent-4-enoxypyridine

C10H11BrN2O3 — CID 79114231

IUPAC5-bromo-3-nitro-2-pent-4-enoxypyridine
SMILESC=CCCCOc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrN2O3/c1-2-3-4-5-16-10-9(13(14)15)6-8(11)7-12-10/h2,6-7H,1,3-5H2
InChIKeyMSTUNSNGBWXJEO-UHFFFAOYSA-N
MW287.11 g/mol
LogP3.10
Rot. Bonds6

About 5-bromo-3-nitro-2-pent-4-enoxypyridine

5-bromo-3-nitro-2-pent-4-enoxypyridine (PubChem CID 79114231) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-bromo-3-nitro-2-pent-4-enoxypyridine.

Molecular Properties

Compound Name5-bromo-3-nitro-2-pent-4-enoxypyridine
PubChem CID79114231
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-bromo-3-nitro-2-pent-4-enoxypyridine
SMILESC=CCCCOc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrN2O3/c1-2-3-4-5-16-10-9(13(14)15)6-8(11)7-12-10/h2,6-7H,1,3-5H2
InChIKeyMSTUNSNGBWXJEO-UHFFFAOYSA-N
XLogP3.10
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-6-pent-4-enoxypyridine-3-carboxylic acid
CID 81438368
5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
CID 54966722
5-bromo-2-pent-4-enoxypyridine-3-carboxylic acid
CID 79114372
5-bromo-2-[(4-bromophenyl)methoxy]-3-nitropyridine
CID 82831572
4-bromo-1-but-3-enoxy-2-nitrobenzene
CID 61374931
5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
2-[(5-bromo-3-nitro-2-pyridinyl)oxy]acetaldehyde;2-[(5-bromo-3-nitro-2-pyridinyl)oxy]-N-ethylethanamine;ethanamine
CID 167615597
3-[(5-bromo-3-nitro-2-pyridinyl)oxy]-2,2-difluoropropan-1-ol
CID 146211557
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
5-bromo-2-[3-(2,2-difluoropiperidin-1-yl)propoxy]-3-nitropyridine
CID 146197060
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-nitropyridine
CID 65430932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-2-pent-4-enoxypyridine?
The IUPAC name of 5-bromo-3-nitro-2-pent-4-enoxypyridine (CID 79114231) is 5-bromo-3-nitro-2-pent-4-enoxypyridine.
What is the SMILES notation for 5-bromo-3-nitro-2-pent-4-enoxypyridine?
The canonical SMILES for 5-bromo-3-nitro-2-pent-4-enoxypyridine is C=CCCCOc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-3-nitro-2-pent-4-enoxypyridine?
The InChIKey is MSTUNSNGBWXJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-2-3-4-5-16-10-9(13(14)15)6-8(11)7-12-10/h2,6-7H,1,3-5H2.
What are the key properties of 5-bromo-3-nitro-2-pent-4-enoxypyridine?
5-bromo-3-nitro-2-pent-4-enoxypyridine has a molecular weight of 287.11 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-2-pent-4-enoxypyridine is sourced from PubChem (CID 79114231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).