N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide

C12H9BrClN3O — CID 166630741

IUPACN'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide
SMILESON/C(=N\c1cccc(Br)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H9BrClN3O/c13-9-2-1-3-10(6-9)16-12(17-18)8-4-5-11(14)15-7-8/h1-7,18H,(H,16,17)
InChIKeyOILRFSFBMHTFRA-UHFFFAOYSA-N
MW326.58 g/mol
LogP3.55
Rot. Bonds2

About N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide

N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide (PubChem CID 166630741) has the molecular formula C12H9BrClN3O and a molecular weight of 326.58 g/mol. Its IUPAC name is N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide
PubChem CID166630741
Molecular FormulaC12H9BrClN3O
Molecular Weight326.58 g/mol
Exact Mass324.96
IUPAC NameN'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide
SMILESON/C(=N\c1cccc(Br)c1)c1ccc(Cl)nc1
InChIInChI=1S/C12H9BrClN3O/c13-9-2-1-3-10(6-9)16-12(17-18)8-4-5-11(14)15-7-8/h1-7,18H,(H,16,17)
InChIKeyOILRFSFBMHTFRA-UHFFFAOYSA-N
XLogP3.55
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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 N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide?
The IUPAC name of N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide (CID 166630741) is N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide?
The canonical SMILES for N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide is ON/C(=N\c1cccc(Br)c1)c1ccc(Cl)nc1.
What is the InChIKey of N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide?
The InChIKey is OILRFSFBMHTFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3O/c13-9-2-1-3-10(6-9)16-12(17-18)8-4-5-11(14)15-7-8/h1-7,18H,(H,16,17).
What are the key properties of N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide?
N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide has a molecular weight of 326.58 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-6-chloro-N-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 166630741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).