4-bromo-2-methylbenzenecarboximidamide

C8H9BrN2 — CID 4607827

IUPAC4-bromo-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1C
InChIInChI=1S/C8H9BrN2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyJFGVXLZCQYPKSF-UHFFFAOYSA-N
MW213.08 g/mol
LogP2.04
Rot. Bonds1

About 4-bromo-2-methylbenzenecarboximidamide

4-bromo-2-methylbenzenecarboximidamide (PubChem CID 4607827) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is 4-bromo-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-methylbenzenecarboximidamide
PubChem CID4607827
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name4-bromo-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1C
InChIInChI=1S/C8H9BrN2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyJFGVXLZCQYPKSF-UHFFFAOYSA-N
XLogP2.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4-bromo-2-methylbenzenecarboximidamide?
The IUPAC name of 4-bromo-2-methylbenzenecarboximidamide (CID 4607827) is 4-bromo-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1C.
What is the InChIKey of 4-bromo-2-methylbenzenecarboximidamide?
The InChIKey is JFGVXLZCQYPKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H3,10,11).
What are the key properties of 4-bromo-2-methylbenzenecarboximidamide?
4-bromo-2-methylbenzenecarboximidamide has a molecular weight of 213.08 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylbenzenecarboximidamide is sourced from PubChem (CID 4607827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).