N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide

C8H8BrFN4 — CID 71188492

IUPACN'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide
SMILESC/N=N/C(=NN)c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN4/c1-12-14-8(13-11)6-4-5(10)2-3-7(6)9/h2-4H,11H2,1H3/b13-8?,14-12+
InChIKeySCPDVEVGYRPQFQ-YIESCYTJSA-N
MW259.08 g/mol
LogP2.29
Rot. Bonds1

About N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide

N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide (PubChem CID 71188492) has the molecular formula C8H8BrFN4 and a molecular weight of 259.08 g/mol. Its IUPAC name is N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide
PubChem CID71188492
Molecular FormulaC8H8BrFN4
Molecular Weight259.08 g/mol
Exact Mass257.99
IUPAC NameN'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide
SMILESC/N=N/C(=NN)c1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN4/c1-12-14-8(13-11)6-4-5(10)2-3-7(6)9/h2-4H,11H2,1H3/b13-8?,14-12+
InChIKeySCPDVEVGYRPQFQ-YIESCYTJSA-N
XLogP2.29
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Bromobenzene-1-carboximidamide hydrochloride
CID 11680262
2-Bromo-benzamidine
CID 3635759
4-Bromo-2-fluorobenzenecarboximidamide
CID 53407890
2-Bromo-4-fluoro-N'-hydroxybenzene-1-carboximidamide
CID 129855119
N'-Amino-4-bromobenzene-1-carboximidamide
CID 75480382
5-(2-Bromo-5-fluoro-phenyl)-1-methyl-2H-tetrazole
CID 21069927
3-(2-Bromophenyl)-6-(2,6-difluorophenyl)-1,2-dihydro-1,2,4,5-tetrazine
CID 23362743
3-Bromo-4-fluorobenzimidamide
CID 53407759
5-Bromo-2-fluorobenzimidamide
CID 53408107
3-Bromo-4-methylbenzene-1-carboximidamide
CID 53417464
N-amino-4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 58955318
2-Bromo-5-fluoro-N'-hydroxybenzene-1-carboximidamide
CID 59604223

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide?
The IUPAC name of N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide (CID 71188492) is N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide?
The canonical SMILES for N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide is C/N=N/C(=NN)c1cc(F)ccc1Br.
What is the InChIKey of N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide?
The InChIKey is SCPDVEVGYRPQFQ-YIESCYTJSA-N. The full InChI is InChI=1S/C8H8BrFN4/c1-12-14-8(13-11)6-4-5(10)2-3-7(6)9/h2-4H,11H2,1H3/b13-8?,14-12+.
What are the key properties of N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide?
N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide has a molecular weight of 259.08 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-bromo-5-fluoro-N-methyliminobenzenecarboximidamide is sourced from PubChem (CID 71188492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).