2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine

C7H6BrF2N3O — CID 102855074

IUPAC2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1cc(Br)c(F)cc1F)NO
InChIInChI=1S/C7H6BrF2N3O/c8-3-1-6(12-7(11)13-14)5(10)2-4(3)9/h1-2,14H,(H3,11,12,13)
InChIKeyPIEVOGZTVYQRTN-UHFFFAOYSA-N
MW266.05 g/mol
LogP1.65
Rot. Bonds1

About 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine

2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine (PubChem CID 102855074) has the molecular formula C7H6BrF2N3O and a molecular weight of 266.05 g/mol. Its IUPAC name is 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine.

Molecular Properties

Compound Name2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine
PubChem CID102855074
Molecular FormulaC7H6BrF2N3O
Molecular Weight266.05 g/mol
Exact Mass264.97
IUPAC Name2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine
SMILESN/C(=N\c1cc(Br)c(F)cc1F)NO
InChIInChI=1S/C7H6BrF2N3O/c8-3-1-6(12-7(11)13-14)5(10)2-4(3)9/h1-2,14H,(H3,11,12,13)
InChIKeyPIEVOGZTVYQRTN-UHFFFAOYSA-N
XLogP1.65
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine?
The IUPAC name of 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine (CID 102855074) is 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine.
What is the SMILES notation for 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine?
The canonical SMILES for 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine is N/C(=N\c1cc(Br)c(F)cc1F)NO.
What is the InChIKey of 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine?
The InChIKey is PIEVOGZTVYQRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O/c8-3-1-6(12-7(11)13-14)5(10)2-4(3)9/h1-2,14H,(H3,11,12,13).
What are the key properties of 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine?
2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine has a molecular weight of 266.05 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,4-difluorophenyl)-1-hydroxyguanidine is sourced from PubChem (CID 102855074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).