N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine

C11H9BrN4O2 — CID 44556488

IUPACN-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine
SMILESCN(c1ncccc1Br)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H9BrN4O2/c1-15(10-8(12)4-2-6-13-10)11-9(16(17)18)5-3-7-14-11/h2-7H,1H3
InChIKeyPXDAZKIFRXOIGW-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.92
Rot. Bonds3

About N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine

N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine (PubChem CID 44556488) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine
PubChem CID44556488
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC NameN-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine
SMILESCN(c1ncccc1Br)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C11H9BrN4O2/c1-15(10-8(12)4-2-6-13-10)11-9(16(17)18)5-3-7-14-11/h2-7H,1H3
InChIKeyPXDAZKIFRXOIGW-UHFFFAOYSA-N
XLogP2.92
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine (CID 44556488) is N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine is CN(c1ncccc1Br)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine?
The InChIKey is PXDAZKIFRXOIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c1-15(10-8(12)4-2-6-13-10)11-9(16(17)18)5-3-7-14-11/h2-7H,1H3.
What are the key properties of N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine?
N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine has a molecular weight of 309.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 44556488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).