2-amino-6-bromobenzenecarboximidamide

C7H8BrN3 — CID 114883758

IUPAC2-amino-6-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(N)cccc1Br
InChIInChI=1S/C7H8BrN3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H3,10,11)
InChIKeyUOIHYQUSQBUJLX-UHFFFAOYSA-N
MW214.07 g/mol
LogP1.32
Rot. Bonds1

About 2-amino-6-bromobenzenecarboximidamide

2-amino-6-bromobenzenecarboximidamide (PubChem CID 114883758) has the molecular formula C7H8BrN3 and a molecular weight of 214.07 g/mol. Its IUPAC name is 2-amino-6-bromobenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-6-bromobenzenecarboximidamide
PubChem CID114883758
Molecular FormulaC7H8BrN3
Molecular Weight214.07 g/mol
Exact Mass212.99
IUPAC Name2-amino-6-bromobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(N)cccc1Br
InChIInChI=1S/C7H8BrN3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H3,10,11)
InChIKeyUOIHYQUSQBUJLX-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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Related Compounds

2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
2-bromo-6-octoxybenzenecarboximidamide
CID 114884017
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-amino-6-bromobenzoic acid
CID 10560649
2-bromo-6-naphthalen-1-yloxybenzenecarboximidamide
CID 114883946
2-bromo-6-(3,5-dimethoxyphenoxy)benzenecarboximidamide
CID 114884034
2-bromo-6-(4-tert-butylphenoxy)benzenecarboximidamide
CID 114883994
2-amino-6-morpholin-4-ylbenzenecarboximidamide
CID 143704993
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114884449
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromobenzenecarboximidamide?
The IUPAC name of 2-amino-6-bromobenzenecarboximidamide (CID 114883758) is 2-amino-6-bromobenzenecarboximidamide.
What is the SMILES notation for 2-amino-6-bromobenzenecarboximidamide?
The canonical SMILES for 2-amino-6-bromobenzenecarboximidamide is [H]/N=C(\N)c1c(N)cccc1Br.
What is the InChIKey of 2-amino-6-bromobenzenecarboximidamide?
The InChIKey is UOIHYQUSQBUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H3,10,11).
What are the key properties of 2-amino-6-bromobenzenecarboximidamide?
2-amino-6-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 2-amino-6-bromobenzenecarboximidamide is sourced from PubChem (CID 114883758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).