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

C9H10BrFN2O2 — CID 107536715

IUPAC2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCO)c(F)c1Br
InChIInChI=1S/C9H10BrFN2O2/c10-7-5(9(12)13)1-2-6(8(7)11)15-4-3-14/h1-2,14H,3-4H2,(H3,12,13)
InChIKeyXZQZYJYVDPCYJC-UHFFFAOYSA-N
MW277.09 g/mol
LogP1.24
Rot. Bonds4

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

2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide (PubChem CID 107536715) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
PubChem CID107536715
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCO)c(F)c1Br
InChIInChI=1S/C9H10BrFN2O2/c10-7-5(9(12)13)1-2-6(8(7)11)15-4-3-14/h1-2,14H,3-4H2,(H3,12,13)
InChIKeyXZQZYJYVDPCYJC-UHFFFAOYSA-N
XLogP1.24
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-3-fluoro-4-(3-hydroxypropoxy)benzenecarboximidamide
CID 107536735
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-[4-(aminomethyl)-3-bromo-2-fluorophenoxy]ethanol
CID 107532624
2-bromo-4-(3-ethoxyphenoxy)-3-fluorobenzenecarboximidamide
CID 107536771
2-bromo-3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 107536559
2-bromo-4-(3-bromo-4-fluorophenoxy)-3-fluorobenzenecarboximidamide
CID 107536819
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide (CID 107536715) is 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCO)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide?
The InChIKey is XZQZYJYVDPCYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c10-7-5(9(12)13)1-2-6(8(7)11)15-4-3-14/h1-2,14H,3-4H2,(H3,12,13).
What are the key properties of 2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide?
2-bromo-3-fluoro-4-(2-hydroxyethoxy)benzenecarboximidamide has a molecular weight of 277.09 g/mol, XLogP of 1.24, 4 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-(2-hydroxyethoxy)benzenecarboximidamide is sourced from PubChem (CID 107536715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).