3-amino-5-bromobenzenecarboximidamide

C7H8BrN3 — CID 3836812

IUPAC3-amino-5-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N)cc(Br)c1
InChIInChI=1S/C7H8BrN3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H3,10,11)
InChIKeyDKHANMHFCYARIR-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.32
Rot. Bonds1

About 3-amino-5-bromobenzenecarboximidamide

3-amino-5-bromobenzenecarboximidamide (PubChem CID 3836812) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 3-amino-5-bromobenzenecarboximidamide.

Molecular Properties

Compound Name3-amino-5-bromobenzenecarboximidamide
PubChem CID3836812
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name3-amino-5-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(N)cc(Br)c1
InChIInChI=1S/C7H8BrN3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H3,10,11)
InChIKeyDKHANMHFCYARIR-UHFFFAOYSA-N
XLogP1.32
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 3-amino-5-bromobenzenecarboximidamide?
The IUPAC name of 3-amino-5-bromobenzenecarboximidamide (CID 3836812) is 3-amino-5-bromobenzenecarboximidamide.
What is the SMILES notation for 3-amino-5-bromobenzenecarboximidamide?
The canonical SMILES for 3-amino-5-bromobenzenecarboximidamide is [H]/N=C(\N)c1cc(N)cc(Br)c1.
What is the InChIKey of 3-amino-5-bromobenzenecarboximidamide?
The InChIKey is DKHANMHFCYARIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,9H2,(H3,10,11).
What are the key properties of 3-amino-5-bromobenzenecarboximidamide?
3-amino-5-bromobenzenecarboximidamide has a molecular weight of 214.07 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromobenzenecarboximidamide is sourced from PubChem (CID 3836812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).