[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride

C6H6ClF2N3 — CID 169424896

IUPAC[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ncc(F)cc1F.[Cl-]
InChIInChI=1S/C6H5F2N3.ClH/c7-3-1-4(8)5(6(9)10)11-2-3;/h1-2H,(H3,9,10);1H
InChIKeyWDLIDNANRSUVFL-UHFFFAOYSA-N
MW193.58 g/mol
LogP-4.17
Rot. Bonds1

About [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride

[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride (PubChem CID 169424896) has the molecular formula C6H6ClF2N3 and a molecular weight of 193.58 g/mol. Its IUPAC name is [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride
PubChem CID169424896
Molecular FormulaC6H6ClF2N3
Molecular Weight193.58 g/mol
Exact Mass193.02
IUPAC Name[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ncc(F)cc1F.[Cl-]
InChIInChI=1S/C6H5F2N3.ClH/c7-3-1-4(8)5(6(9)10)11-2-3;/h1-2H,(H3,9,10);1H
InChIKeyWDLIDNANRSUVFL-UHFFFAOYSA-N
XLogP-4.17
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 5-4.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride?
The IUPAC name of [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride (CID 169424896) is [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride.
What is the SMILES notation for [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride?
The canonical SMILES for [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride is NC(=[NH2+])c1ncc(F)cc1F.[Cl-].
What is the InChIKey of [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride?
The InChIKey is WDLIDNANRSUVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3.ClH/c7-3-1-4(8)5(6(9)10)11-2-3;/h1-2H,(H3,9,10);1H.
What are the key properties of [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride?
[amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride has a molecular weight of 193.58 g/mol, XLogP of -4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(3,5-difluoro-2-pyridinyl)methylidene]azanium chloride is sourced from PubChem (CID 169424896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).