1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine

C11H16BrN3O2 — CID 63202365

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ncc(Br)cc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C11H16BrN3O2/c1-7(2)9(13-3)5-10-11(15(16)17)4-8(12)6-14-10/h4,6-7,9,13H,5H2,1-3H3
InChIKeyDBCFRSRADMHOLM-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.54
Rot. Bonds5

About 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine

1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine (PubChem CID 63202365) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
PubChem CID63202365
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
SMILESCNC(Cc1ncc(Br)cc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C11H16BrN3O2/c1-7(2)9(13-3)5-10-11(15(16)17)4-8(12)6-14-10/h4,6-7,9,13H,5H2,1-3H3
InChIKeyDBCFRSRADMHOLM-UHFFFAOYSA-N
XLogP2.54
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-(5-bromo-3-nitro-2-pyridinyl)-N-ethylpropan-2-amine
CID 63200511
2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 55200912
1-(3-bromo-5-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 79523278
1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine
CID 63196889
5-bromo-2-(2-chloro-2-phenylethyl)-3-nitropyridine
CID 63205220
1-(4-bromo-5-fluoro-2-nitrophenyl)-N,3-dimethylbutan-2-amine
CID 66109943
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine
CID 63205269
5-bromo-N-(6-methylheptan-2-yl)-3-nitropyridin-2-amine
CID 63463823
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503
2-(5-bromo-3-nitro-2-pyridinyl)ethyl propanoate
CID 175284511

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine (CID 63202365) is 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine is CNC(Cc1ncc(Br)cc1[N+](=O)[O-])C(C)C.
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine?
The InChIKey is DBCFRSRADMHOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7(2)9(13-3)5-10-11(15(16)17)4-8(12)6-14-10/h4,6-7,9,13H,5H2,1-3H3.
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine?
1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine has a molecular weight of 302.17 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 63202365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).