2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide

C10H12BrFN2O2 — CID 107536735

IUPAC2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCO)c(F)c1Br
InChIInChI=1S/C10H12BrFN2O2/c11-8-6(10(13)14)2-3-7(9(8)12)16-5-1-4-15/h2-3,15H,1,4-5H2,(H3,13,14)
InChIKeyLFLBFNXKOPJLQR-UHFFFAOYSA-N
MW291.12 g/mol
LogP1.63
Rot. Bonds5

About 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide

2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide (PubChem CID 107536735) has the molecular formula C10H12BrFN2O2 and a molecular weight of 291.12 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
PubChem CID107536735
Molecular FormulaC10H12BrFN2O2
Molecular Weight291.12 g/mol
Exact Mass290.01
IUPAC Name2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCO)c(F)c1Br
InChIInChI=1S/C10H12BrFN2O2/c11-8-6(10(13)14)2-3-7(9(8)12)16-5-1-4-15/h2-3,15H,1,4-5H2,(H3,13,14)
InChIKeyLFLBFNXKOPJLQR-UHFFFAOYSA-N
XLogP1.63
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.12
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
CID 107536715
2-bromo-3-fluoro-4-(3-methoxypropoxy)benzenecarboximidamide
CID 107536748
2-bromo-3-fluoro-4-(3-methylbutoxy)benzenecarboximidamide
CID 107536685
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-4-(4-bromophenoxy)-3-fluorobenzenecarboximidamide
CID 107536654
2-bromo-3-fluoro-4-(4-fluorophenoxy)benzenecarboximidamide
CID 107536662
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-3-fluoro-4-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 107536673
2-bromo-3-fluoro-4-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107536617

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide (CID 107536735) is 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCO)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide?
The InChIKey is LFLBFNXKOPJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O2/c11-8-6(10(13)14)2-3-7(9(8)12)16-5-1-4-15/h2-3,15H,1,4-5H2,(H3,13,14).
What are the key properties of 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide?
2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide has a molecular weight of 291.12 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide is sourced from PubChem (CID 107536735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).