[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium

C13H10Cl2N3O+ — CID 6933633

IUPAC[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium
SMILESN/C(=[NH+]\C(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2N3O/c14-10-4-1-8(2-5-10)12(16)18-13(19)9-3-6-11(15)17-7-9/h1-7H,(H2,16,18,19)/p+1
InChIKeyRDRGUOSSCKRIHH-UHFFFAOYSA-O
MW295.15 g/mol
LogP1.01
Rot. Bonds2

About [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium

[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium (PubChem CID 6933633) has the molecular formula C13H10Cl2N3O+ and a molecular weight of 295.15 g/mol. Its IUPAC name is [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium.

Molecular Properties

Compound Name[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium
PubChem CID6933633
Molecular FormulaC13H10Cl2N3O+
Molecular Weight295.15 g/mol
Exact Mass294.02
IUPAC Name[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium
SMILESN/C(=[NH+]\C(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2N3O/c14-10-4-1-8(2-5-10)12(16)18-13(19)9-3-6-11(15)17-7-9/h1-7H,(H2,16,18,19)/p+1
InChIKeyRDRGUOSSCKRIHH-UHFFFAOYSA-O
XLogP1.01
TPSA69.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
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 [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium?
The IUPAC name of [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium (CID 6933633) is [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium.
What is the SMILES notation for [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium?
The canonical SMILES for [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium is N/C(=[NH+]\C(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1.
What is the InChIKey of [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium?
The InChIKey is RDRGUOSSCKRIHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9Cl2N3O/c14-10-4-1-8(2-5-10)12(16)18-13(19)9-3-6-11(15)17-7-9/h1-7H,(H2,16,18,19)/p+1.
What are the key properties of [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium?
[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium has a molecular weight of 295.15 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium is sourced from PubChem (CID 6933633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).