N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C9H12BrN3 — CID 2747636

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Br)cnc1/N=C/N(C)C
InChIInChI=1S/C9H12BrN3/c1-7-4-8(10)5-11-9(7)12-6-13(2)3/h4-6H,1-3H3/b12-6+
InChIKeyHSXOSVRUJIQAHE-WUXMJOGZSA-N
MW242.12 g/mol
LogP2.37
Rot. Bonds2

About N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 2747636) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID2747636
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(Br)cnc1/N=C/N(C)C
InChIInChI=1S/C9H12BrN3/c1-7-4-8(10)5-11-9(7)12-6-13(2)3/h4-6H,1-3H3/b12-6+
InChIKeyHSXOSVRUJIQAHE-WUXMJOGZSA-N
XLogP2.37
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 2747636) is N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1cc(Br)cnc1/N=C/N(C)C.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is HSXOSVRUJIQAHE-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-7-4-8(10)5-11-9(7)12-6-13(2)3/h4-6H,1-3H3/b12-6+.
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 242.12 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2747636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).