2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine

C9H13FN4 — CID 129302384

IUPAC2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
SMILES[H]/N=C(\CN(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C9H13FN4/c1-13(2)6-9(12)14-5-7(10)3-4-8(14)11/h3-5,11-12H,6H2,1-2H3/b11-8+,12-9+
InChIKeyNIVUGLIQPCNTRG-HZOWPXDZSA-N
MW196.23 g/mol
LogP0.49
Rot. Bonds2

About 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine

2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine (PubChem CID 129302384) has the molecular formula C9H13FN4 and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
PubChem CID129302384
Molecular FormulaC9H13FN4
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine
SMILES[H]/N=C(\CN(C)C)n1cc(F)cc/c1=N\[H]
InChIInChI=1S/C9H13FN4/c1-13(2)6-9(12)14-5-7(10)3-4-8(14)11/h3-5,11-12H,6H2,1-2H3/b11-8+,12-9+
InChIKeyNIVUGLIQPCNTRG-HZOWPXDZSA-N
XLogP0.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine?
The IUPAC name of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine (CID 129302384) is 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine is [H]/N=C(\CN(C)C)n1cc(F)cc/c1=N\[H].
What is the InChIKey of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine?
The InChIKey is NIVUGLIQPCNTRG-HZOWPXDZSA-N. The full InChI is InChI=1S/C9H13FN4/c1-13(2)6-9(12)14-5-7(10)3-4-8(14)11/h3-5,11-12H,6H2,1-2H3/b11-8+,12-9+.
What are the key properties of 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine?
2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine has a molecular weight of 196.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-imino-1-pyridinyl)-2-imino-N,N-dimethylethanamine is sourced from PubChem (CID 129302384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).