N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C9H11Br2N3 — CID 170732232

IUPACN'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1c(Br)cnc(/N=C/N(C)C)c1Br
InChIInChI=1S/C9H11Br2N3/c1-6-7(10)4-12-9(8(6)11)13-5-14(2)3/h4-5H,1-3H3/b13-5+
InChIKeyVSWSNGSUJWAWHH-WLRTZDKTSA-N
MW321.02 g/mol
LogP3.14
Rot. Bonds2

About N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 170732232) has the molecular formula C9H11Br2N3 and a molecular weight of 321.02 g/mol. Its IUPAC name is N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID170732232
Molecular FormulaC9H11Br2N3
Molecular Weight321.02 g/mol
Exact Mass318.93
IUPAC NameN'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1c(Br)cnc(/N=C/N(C)C)c1Br
InChIInChI=1S/C9H11Br2N3/c1-6-7(10)4-12-9(8(6)11)13-5-14(2)3/h4-5H,1-3H3/b13-5+
InChIKeyVSWSNGSUJWAWHH-WLRTZDKTSA-N
XLogP3.14
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.02
LogP ≤ 53.14
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'-(3,5-dibromo-4-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

Related Compounds

N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 146258283
N'-(5-bromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 131849119
N'-(5-bromo-3-cyanopyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 22662771
ethyl 5-bromo-6-(dimethylaminomethylideneamino)pyridine-3-carboxylate
CID 131749966
methyl 5-bromo-2-[(E)-dimethylaminomethylideneamino]pyridine-3-carboxylate
CID 118225142
6-(dimethylaminomethylideneamino)-5-methylpyridine-3-sulfonic acid
CID 11586791
N'-(3-cyano-5-fluoropyrazin-2-yl)-N,N-dimethylmethanimidamide
CID 22662860
N,N-dimethyl-N'-(2-oxo-1,3-dihydroimidazo[4,5-c]pyridin-4-yl)methanimidamide
CID 178176991
N'-(3-hydroxy-5-phenyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 141411326
N'-(4-chloro-3,6-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 172622138
5-bromo-2-chloro-N,N,4-trimethylpyridin-3-amine
CID 118238019
N'-[3-bromo-6-[hydroxy(methoxy)methyl]-2-pyridinyl]-N,N-dimethylmethanimidamide
CID 174019565

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 170732232) is N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1c(Br)cnc(/N=C/N(C)C)c1Br.
What is the InChIKey of N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is VSWSNGSUJWAWHH-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H11Br2N3/c1-6-7(10)4-12-9(8(6)11)13-5-14(2)3/h4-5H,1-3H3/b13-5+.
What are the key properties of N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 321.02 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dibromo-4-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 170732232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).