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

C8H10BrN3 — CID 4288956

IUPACN'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Br)cn1
InChIInChI=1S/C8H10BrN3/c1-12(2)6-11-8-4-3-7(9)5-10-8/h3-6H,1-2H3/b11-6+
InChIKeyKLPIAUFTPZZJFX-IZZDOVSWSA-N
MW228.09 g/mol
LogP2.07
Rot. Bonds2

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

N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 4288956) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID4288956
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC NameN'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(Br)cn1
InChIInChI=1S/C8H10BrN3/c1-12(2)6-11-8-4-3-7(9)5-10-8/h3-6H,1-2H3/b11-6+
InChIKeyKLPIAUFTPZZJFX-IZZDOVSWSA-N
XLogP2.07
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.07
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-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 4288956) is N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(Br)cn1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is KLPIAUFTPZZJFX-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-12(2)6-11-8-4-3-7(9)5-10-8/h3-6H,1-2H3/b11-6+.
What are the key properties of N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 228.09 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).