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

C9H12BrN3 — CID 66746222

IUPACN'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1ccc(Br)cn1)N(C)C
InChIInChI=1S/C9H12BrN3/c1-7(13(2)3)12-9-5-4-8(10)6-11-9/h4-6H,1-3H3/b12-7+
InChIKeyBEEGJLLYCMCQRU-KPKJPENVSA-N
MW242.12 g/mol
LogP2.46
Rot. Bonds1

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

N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide (PubChem CID 66746222) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide
PubChem CID66746222
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC NameN'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1ccc(Br)cn1)N(C)C
InChIInChI=1S/C9H12BrN3/c1-7(13(2)3)12-9-5-4-8(10)6-11-9/h4-6H,1-3H3/b12-7+
InChIKeyBEEGJLLYCMCQRU-KPKJPENVSA-N
XLogP2.46
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.46
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-dimethylethanimidamide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide (CID 66746222) is N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide is C/C(=N\c1ccc(Br)cn1)N(C)C.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide?
The InChIKey is BEEGJLLYCMCQRU-KPKJPENVSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-7(13(2)3)12-9-5-4-8(10)6-11-9/h4-6H,1-3H3/b12-7+.
What are the key properties of N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide?
N'-(5-bromo-2-pyridinyl)-N,N-dimethylethanimidamide has a molecular weight of 242.12 g/mol, XLogP of 2.46, 1 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-dimethylethanimidamide is sourced from PubChem (CID 66746222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).