N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide

C10H14BrN3 — CID 146258283

IUPACN'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1c(Br)cnc(/N=C/N(C)C)c1C
InChIInChI=1S/C10H14BrN3/c1-7-8(2)10(12-5-9(7)11)13-6-14(3)4/h5-6H,1-4H3/b13-6+
InChIKeyLHSKJFLFIPSDKS-AWNIVKPZSA-N
MW256.15 g/mol
LogP2.68
Rot. Bonds2

About N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide

N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide (PubChem CID 146258283) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
PubChem CID146258283
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC NameN'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide
SMILESCc1c(Br)cnc(/N=C/N(C)C)c1C
InChIInChI=1S/C10H14BrN3/c1-7-8(2)10(12-5-9(7)11)13-6-14(3)4/h5-6H,1-4H3/b13-6+
InChIKeyLHSKJFLFIPSDKS-AWNIVKPZSA-N
XLogP2.68
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.68
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-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide (CID 146258283) is N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide is Cc1c(Br)cnc(/N=C/N(C)C)c1C.
What is the InChIKey of N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
The InChIKey is LHSKJFLFIPSDKS-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-7-8(2)10(12-5-9(7)11)13-6-14(3)4/h5-6H,1-4H3/b13-6+.
What are the key properties of N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide has a molecular weight of 256.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3,4-dimethyl-2-pyridinyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 146258283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).