N'-(5-bromo-2-pyridinyl)benzenecarboximidamide

C12H10BrN3 — CID 119056719

IUPACN'-(5-bromo-2-pyridinyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H10BrN3/c13-10-6-7-11(15-8-10)16-12(14)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)
InChIKeyDPLJWHZMPCPALX-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.88
Rot. Bonds2

About N'-(5-bromo-2-pyridinyl)benzenecarboximidamide

N'-(5-bromo-2-pyridinyl)benzenecarboximidamide (PubChem CID 119056719) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is N'-(5-bromo-2-pyridinyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-pyridinyl)benzenecarboximidamide
PubChem CID119056719
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC NameN'-(5-bromo-2-pyridinyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H10BrN3/c13-10-6-7-11(15-8-10)16-12(14)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)
InChIKeyDPLJWHZMPCPALX-UHFFFAOYSA-N
XLogP2.88
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(5-bromo-2-pyridinyl)benzenecarboximidamide?
The IUPAC name of N'-(5-bromo-2-pyridinyl)benzenecarboximidamide (CID 119056719) is N'-(5-bromo-2-pyridinyl)benzenecarboximidamide.
What is the SMILES notation for N'-(5-bromo-2-pyridinyl)benzenecarboximidamide?
The canonical SMILES for N'-(5-bromo-2-pyridinyl)benzenecarboximidamide is N/C(=N\c1ccc(Br)cn1)c1ccccc1.
What is the InChIKey of N'-(5-bromo-2-pyridinyl)benzenecarboximidamide?
The InChIKey is DPLJWHZMPCPALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c13-10-6-7-11(15-8-10)16-12(14)9-4-2-1-3-5-9/h1-8H,(H2,14,15,16).
What are the key properties of N'-(5-bromo-2-pyridinyl)benzenecarboximidamide?
N'-(5-bromo-2-pyridinyl)benzenecarboximidamide has a molecular weight of 276.14 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-pyridinyl)benzenecarboximidamide is sourced from PubChem (CID 119056719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).