3,4-difluoropyridine-2-carboximidamide

C6H5F2N3 — CID 137371718

IUPAC3,4-difluoropyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccc(F)c1F
InChIInChI=1S/C6H5F2N3/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2H,(H3,9,10)
InChIKeyMUYXKMLTZXZLMM-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.64
Rot. Bonds1

About 3,4-difluoropyridine-2-carboximidamide

3,4-difluoropyridine-2-carboximidamide (PubChem CID 137371718) has the molecular formula C6H5F2N3 and a molecular weight of 157.12 g/mol. Its IUPAC name is 3,4-difluoropyridine-2-carboximidamide.

Molecular Properties

Compound Name3,4-difluoropyridine-2-carboximidamide
PubChem CID137371718
Molecular FormulaC6H5F2N3
Molecular Weight157.12 g/mol
Exact Mass157.05
IUPAC Name3,4-difluoropyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccc(F)c1F
InChIInChI=1S/C6H5F2N3/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2H,(H3,9,10)
InChIKeyMUYXKMLTZXZLMM-UHFFFAOYSA-N
XLogP0.64
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
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 3,4-difluoropyridine-2-carboximidamide?
The IUPAC name of 3,4-difluoropyridine-2-carboximidamide (CID 137371718) is 3,4-difluoropyridine-2-carboximidamide.
What is the SMILES notation for 3,4-difluoropyridine-2-carboximidamide?
The canonical SMILES for 3,4-difluoropyridine-2-carboximidamide is [H]/N=C(\N)c1nccc(F)c1F.
What is the InChIKey of 3,4-difluoropyridine-2-carboximidamide?
The InChIKey is MUYXKMLTZXZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N3/c7-3-1-2-11-5(4(3)8)6(9)10/h1-2H,(H3,9,10).
What are the key properties of 3,4-difluoropyridine-2-carboximidamide?
3,4-difluoropyridine-2-carboximidamide has a molecular weight of 157.12 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoropyridine-2-carboximidamide is sourced from PubChem (CID 137371718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).