N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide

C7H6BrF2N3 — CID 107539610

IUPACN'-amino-2-bromo-3,4-difluorobenzenecarboximidamide
SMILESN/N=C(/N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C7H6BrF2N3/c8-5-3(7(11)13-12)1-2-4(9)6(5)10/h1-2H,12H2,(H2,11,13)
InChIKeySQEOGVPRQGSDQJ-UHFFFAOYSA-N
MW250.05 g/mol
LogP1.31
Rot. Bonds1

About N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide

N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide (PubChem CID 107539610) has the molecular formula C7H6BrF2N3 and a molecular weight of 250.05 g/mol. Its IUPAC name is N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-2-bromo-3,4-difluorobenzenecarboximidamide
PubChem CID107539610
Molecular FormulaC7H6BrF2N3
Molecular Weight250.05 g/mol
Exact Mass248.97
IUPAC NameN'-amino-2-bromo-3,4-difluorobenzenecarboximidamide
SMILESN/N=C(/N)c1ccc(F)c(F)c1Br
InChIInChI=1S/C7H6BrF2N3/c8-5-3(7(11)13-12)1-2-4(9)6(5)10/h1-2H,12H2,(H2,11,13)
InChIKeySQEOGVPRQGSDQJ-UHFFFAOYSA-N
XLogP1.31
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.05
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
2-bromo-3,4-difluorobenzoic acid
CID 22621204
N'-amino-2-bromo-4-fluorobenzenecarboximidamide
CID 61360545
N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
CID 86594416
2-bromo-3-fluoro-4-(2,3,4-trifluoroanilino)benzenecarbothioamide
CID 107534526
N'-amino-4-bromo-2-chlorobenzenecarboximidamide
CID 61361774
1-(2-bromo-3,4-difluorophenyl)-3-methylbutan-1-one
CID 107537908
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanone
CID 107537912
(2-bromo-3,4-difluorophenyl)-cyclobutylmethanone
CID 107538146
ethyl 3-(2-bromo-3,4-difluorophenyl)-3-oxopropanoate
CID 107539657
N'-ethenyl-2,3,4-trifluorobenzenecarboximidamide
CID 59058990
2,4-dibromo-3,5-difluorobenzamide
CID 119007128

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide?
The IUPAC name of N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide (CID 107539610) is N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide.
What is the SMILES notation for N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide?
The canonical SMILES for N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide is N/N=C(/N)c1ccc(F)c(F)c1Br.
What is the InChIKey of N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide?
The InChIKey is SQEOGVPRQGSDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3/c8-5-3(7(11)13-12)1-2-4(9)6(5)10/h1-2H,12H2,(H2,11,13).
What are the key properties of N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide?
N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide has a molecular weight of 250.05 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-bromo-3,4-difluorobenzenecarboximidamide is sourced from PubChem (CID 107539610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).