N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide

C12H9BrClN3 — CID 121002276

IUPACN'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide
SMILESN/C(=N\c1cccnc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClN3/c13-11-10(2-1-7-16-11)17-12(15)8-3-5-9(14)6-4-8/h1-7H,(H2,15,17)
InChIKeyCZUXIKJMHMYKEJ-UHFFFAOYSA-N
MW310.58 g/mol
LogP3.53
Rot. Bonds2

About N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide

N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide (PubChem CID 121002276) has the molecular formula C12H9BrClN3 and a molecular weight of 310.58 g/mol. Its IUPAC name is N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide
PubChem CID121002276
Molecular FormulaC12H9BrClN3
Molecular Weight310.58 g/mol
Exact Mass308.97
IUPAC NameN'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide
SMILESN/C(=N\c1cccnc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C12H9BrClN3/c13-11-10(2-1-7-16-11)17-12(15)8-3-5-9(14)6-4-8/h1-7H,(H2,15,17)
InChIKeyCZUXIKJMHMYKEJ-UHFFFAOYSA-N
XLogP3.53
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide?
The IUPAC name of N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide (CID 121002276) is N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide.
What is the SMILES notation for N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide?
The canonical SMILES for N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide is N/C(=N\c1cccnc1Br)c1ccc(Cl)cc1.
What is the InChIKey of N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide?
The InChIKey is CZUXIKJMHMYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3/c13-11-10(2-1-7-16-11)17-12(15)8-3-5-9(14)6-4-8/h1-7H,(H2,15,17).
What are the key properties of N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide?
N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide has a molecular weight of 310.58 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-3-pyridinyl)-4-chlorobenzenecarboximidamide is sourced from PubChem (CID 121002276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).