2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine

C13H11BrN2O2 — CID 86680625

IUPAC2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine
SMILESCC(Br)c1ccc(-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H11BrN2O2/c1-9(14)13-7-4-11(8-15-13)10-2-5-12(6-3-10)16(17)18/h2-9H,1H3
InChIKeyWPJYRWWJSZABKI-UHFFFAOYSA-N
MW307.15 g/mol
LogP4.11
Rot. Bonds3

About 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine

2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine (PubChem CID 86680625) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine.

Molecular Properties

Compound Name2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine
PubChem CID86680625
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine
SMILESCC(Br)c1ccc(-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H11BrN2O2/c1-9(14)13-7-4-11(8-15-13)10-2-5-12(6-3-10)16(17)18/h2-9H,1H3
InChIKeyWPJYRWWJSZABKI-UHFFFAOYSA-N
XLogP4.11
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine;1-[5-(4-nitrophenyl)-2-pyridinyl]ethanol;tribromophosphane
CID 159812704
1-[5-(4-nitrophenyl)-2-pyridinyl]ethanone
CID 86680623
5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63199360
5-(1-methylpyridin-1-ium-4-yl)-2-(4-nitrophenyl)pyrimidine
CID 22416333
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001
2-methyl-N-[[5-(4-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181562
N-[4-(4-nitrophenyl)phenyl]-N-propan-2-ylnitramide
CID 135083407

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine?
The IUPAC name of 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine (CID 86680625) is 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine.
What is the SMILES notation for 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine?
The canonical SMILES for 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine is CC(Br)c1ccc(-c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine?
The InChIKey is WPJYRWWJSZABKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-9(14)13-7-4-11(8-15-13)10-2-5-12(6-3-10)16(17)18/h2-9H,1H3.
What are the key properties of 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine?
2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine has a molecular weight of 307.15 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine is sourced from PubChem (CID 86680625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).