N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C9H12BrN3 — CID 131849119

IUPACN'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(/N=C/N(C)C)ncc1Br
InChIInChI=1S/C9H12BrN3/c1-7-4-9(11-5-8(7)10)12-6-13(2)3/h4-6H,1-3H3/b12-6+
InChIKeyJMEMDYSPKRDQMK-WUXMJOGZSA-N
MW242.12 g/mol
LogP2.37
Rot. Bonds2

About N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 131849119) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID131849119
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC NameN'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(/N=C/N(C)C)ncc1Br
InChIInChI=1S/C9H12BrN3/c1-7-4-9(11-5-8(7)10)12-6-13(2)3/h4-6H,1-3H3/b12-6+
InChIKeyJMEMDYSPKRDQMK-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 131849119) is N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1cc(/N=C/N(C)C)ncc1Br.
What is the InChIKey of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is JMEMDYSPKRDQMK-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-7-4-9(11-5-8(7)10)12-6-13(2)3/h4-6H,1-3H3/b12-6+.
What are the key properties of N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-4-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-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 131849119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).