6-bromo-3-chloro-2-fluorobenzenecarboximidamide

C7H5BrClFN2 — CID 83409754

IUPAC6-bromo-3-chloro-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H5BrClFN2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H3,11,12)
InChIKeyCAPVCXUBHAWLQA-UHFFFAOYSA-N
MW251.49 g/mol
LogP2.53
Rot. Bonds1

About 6-bromo-3-chloro-2-fluorobenzenecarboximidamide

6-bromo-3-chloro-2-fluorobenzenecarboximidamide (PubChem CID 83409754) has the molecular formula C7H5BrClFN2 and a molecular weight of 251.49 g/mol. Its IUPAC name is 6-bromo-3-chloro-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name6-bromo-3-chloro-2-fluorobenzenecarboximidamide
PubChem CID83409754
Molecular FormulaC7H5BrClFN2
Molecular Weight251.49 g/mol
Exact Mass249.93
IUPAC Name6-bromo-3-chloro-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)ccc(Cl)c1F
InChIInChI=1S/C7H5BrClFN2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H3,11,12)
InChIKeyCAPVCXUBHAWLQA-UHFFFAOYSA-N
XLogP2.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-2-fluorobenzenecarboximidamide?
The IUPAC name of 6-bromo-3-chloro-2-fluorobenzenecarboximidamide (CID 83409754) is 6-bromo-3-chloro-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 6-bromo-3-chloro-2-fluorobenzenecarboximidamide?
The canonical SMILES for 6-bromo-3-chloro-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1c(Br)ccc(Cl)c1F.
What is the InChIKey of 6-bromo-3-chloro-2-fluorobenzenecarboximidamide?
The InChIKey is CAPVCXUBHAWLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFN2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H3,11,12).
What are the key properties of 6-bromo-3-chloro-2-fluorobenzenecarboximidamide?
6-bromo-3-chloro-2-fluorobenzenecarboximidamide has a molecular weight of 251.49 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 83409754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).