N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C9H11Br2N3 — CID 2747635

IUPACN'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1nc(N=CN(C)C)c(Br)cc1Br
InChIInChI=1S/C9H11Br2N3/c1-6-7(10)4-8(11)9(13-6)12-5-14(2)3/h4-5H,1-3H3
InChIKeyFGDDNUKCIGNIBS-UHFFFAOYSA-N
MW321.02 g/mol
LogP3.14
Rot. Bonds2

About N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 2747635) has the molecular formula C9H11Br2N3 and a molecular weight of 321.02 g/mol. Its IUPAC name is N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID2747635
Molecular FormulaC9H11Br2N3
Molecular Weight321.02 g/mol
Exact Mass318.93
IUPAC NameN'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1nc(N=CN(C)C)c(Br)cc1Br
InChIInChI=1S/C9H11Br2N3/c1-6-7(10)4-8(11)9(13-6)12-5-14(2)3/h4-5H,1-3H3
InChIKeyFGDDNUKCIGNIBS-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 2747635) is N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1nc(N=CN(C)C)c(Br)cc1Br.
What is the InChIKey of N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is FGDDNUKCIGNIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3/c1-6-7(10)4-8(11)9(13-6)12-5-14(2)3/h4-5H,1-3H3.
What are the key properties of N'-(3,5-dibromo-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(3,5-dibromo-6-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-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 2747635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).