2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine

C11H14BrN3O2 — CID 55200912

IUPAC2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
SMILESCNC(Cc1ncc(Br)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14BrN3O2/c1-13-9(7-2-3-7)5-10-11(15(16)17)4-8(12)6-14-10/h4,6-7,9,13H,2-3,5H2,1H3
InChIKeyFMVQRRHRLNALSU-UHFFFAOYSA-N
MW300.16 g/mol
LogP2.29
Rot. Bonds5

About 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine

2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine (PubChem CID 55200912) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
PubChem CID55200912
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
SMILESCNC(Cc1ncc(Br)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C11H14BrN3O2/c1-13-9(7-2-3-7)5-10-11(15(16)17)4-8(12)6-14-10/h4,6-7,9,13H,2-3,5H2,1H3
InChIKeyFMVQRRHRLNALSU-UHFFFAOYSA-N
XLogP2.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine?
The IUPAC name of 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine (CID 55200912) is 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine is CNC(Cc1ncc(Br)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine?
The InChIKey is FMVQRRHRLNALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-13-9(7-2-3-7)5-10-11(15(16)17)4-8(12)6-14-10/h4,6-7,9,13H,2-3,5H2,1H3.
What are the key properties of 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine?
2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine has a molecular weight of 300.16 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine is sourced from PubChem (CID 55200912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).