5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine

C11H14Br2N2O2 — CID 63205269

IUPAC5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine
SMILESCC(C)C(c1ncc(Br)cc1[N+](=O)[O-])C(C)Br
InChIInChI=1S/C11H14Br2N2O2/c1-6(2)10(7(3)12)11-9(15(16)17)4-8(13)5-14-11/h4-7,10H,1-3H3
InChIKeyKJWMIOYFBBQBJP-UHFFFAOYSA-N
MW366.05 g/mol
LogP4.28
Rot. Bonds4

About 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine

5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine (PubChem CID 63205269) has the molecular formula C11H14Br2N2O2 and a molecular weight of 366.05 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine
PubChem CID63205269
Molecular FormulaC11H14Br2N2O2
Molecular Weight366.05 g/mol
Exact Mass363.94
IUPAC Name5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine
SMILESCC(C)C(c1ncc(Br)cc1[N+](=O)[O-])C(C)Br
InChIInChI=1S/C11H14Br2N2O2/c1-6(2)10(7(3)12)11-9(15(16)17)4-8(13)5-14-11/h4-7,10H,1-3H3
InChIKeyKJWMIOYFBBQBJP-UHFFFAOYSA-N
XLogP4.28
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.05
LogP ≤ 54.28
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

3-(5-bromo-3-nitro-2-pyridinyl)butan-2-one
CID 63196866
2-(5-bromo-3-nitro-2-pyridinyl)butanoic acid
CID 104572111
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 63202365
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
CID 61229226
1-(5-bromo-3-nitro-2-pyridinyl)-N-ethylpropan-2-amine
CID 63200511
5-bromo-N-(3-methyloxetan-3-yl)-3-nitropyridin-2-amine
CID 170993871
1-(2-bromo-4-methylpentan-3-yl)-4-methylsulfonyl-2-nitrobenzene
CID 63205488
5-bromo-3-nitropyridine-2-carbonitrile
CID 2769698
1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine
CID 130160924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine?
The IUPAC name of 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine (CID 63205269) is 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine is CC(C)C(c1ncc(Br)cc1[N+](=O)[O-])C(C)Br.
What is the InChIKey of 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine?
The InChIKey is KJWMIOYFBBQBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O2/c1-6(2)10(7(3)12)11-9(15(16)17)4-8(13)5-14-11/h4-7,10H,1-3H3.
What are the key properties of 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine?
5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine has a molecular weight of 366.05 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine is sourced from PubChem (CID 63205269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).