1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine

C10H10BrCl2N3 — CID 62380699

IUPAC1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H10BrCl2N3/c11-5-3-7(12)9(8(13)4-5)16-10(14)15-6-1-2-6/h3-4,6H,1-2H2,(H3,14,15,16)
InChIKeyCXDQLOUZDLUXTD-UHFFFAOYSA-N
MW323.02 g/mol
LogP3.64
Rot. Bonds2

About 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine

1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine (PubChem CID 62380699) has the molecular formula C10H10BrCl2N3 and a molecular weight of 323.02 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine
PubChem CID62380699
Molecular FormulaC10H10BrCl2N3
Molecular Weight323.02 g/mol
Exact Mass320.94
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine
SMILESN/C(=N\C1CC1)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H10BrCl2N3/c11-5-3-7(12)9(8(13)4-5)16-10(14)15-6-1-2-6/h3-4,6H,1-2H2,(H3,14,15,16)
InChIKeyCXDQLOUZDLUXTD-UHFFFAOYSA-N
XLogP3.64
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.02
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine (CID 62380699) is 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine is N/C(=N\C1CC1)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine?
The InChIKey is CXDQLOUZDLUXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2N3/c11-5-3-7(12)9(8(13)4-5)16-10(14)15-6-1-2-6/h3-4,6H,1-2H2,(H3,14,15,16).
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine?
1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine has a molecular weight of 323.02 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)-2-cyclopropylguanidine is sourced from PubChem (CID 62380699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).