2-bromo-3-fluoro-4-methoxybenzenecarboximidamide

C8H8BrFN2O — CID 107536678

IUPAC2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)c(F)c1Br
InChIInChI=1S/C8H8BrFN2O/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H3,11,12)
InChIKeyUOLFGGCDMDRCNH-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.88
Rot. Bonds2

About 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide

2-bromo-3-fluoro-4-methoxybenzenecarboximidamide (PubChem CID 107536678) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
PubChem CID107536678
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)c(F)c1Br
InChIInChI=1S/C8H8BrFN2O/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H3,11,12)
InChIKeyUOLFGGCDMDRCNH-UHFFFAOYSA-N
XLogP1.88
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
CID 107536748
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107537085
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-3-fluoro-4-(3-methylbutoxy)benzenecarboximidamide
CID 107536685
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide
CID 107537083

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide (CID 107536678) is 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide?
The InChIKey is UOLFGGCDMDRCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H3,11,12).
What are the key properties of 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide?
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide has a molecular weight of 247.07 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 107536678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).