2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide

C13H12F2N4 — CID 145192796

IUPAC2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide
SMILESC/N=C(\N)c1ccc(-c2cc(F)cc(F)c2)nc1N
InChIInChI=1S/C13H12F2N4/c1-18-12(16)10-2-3-11(19-13(10)17)7-4-8(14)6-9(15)5-7/h2-6H,1H3,(H2,16,18)(H2,17,19)
InChIKeyNQHNPHNREWGXPS-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide

2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide (PubChem CID 145192796) has the molecular formula C13H12F2N4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide
PubChem CID145192796
Molecular FormulaC13H12F2N4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide
SMILESC/N=C(\N)c1ccc(-c2cc(F)cc(F)c2)nc1N
InChIInChI=1S/C13H12F2N4/c1-18-12(16)10-2-3-11(19-13(10)17)7-4-8(14)6-9(15)5-7/h2-6H,1H3,(H2,16,18)(H2,17,19)
InChIKeyNQHNPHNREWGXPS-UHFFFAOYSA-N
XLogP1.94
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide?
The IUPAC name of 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide (CID 145192796) is 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide is C/N=C(\N)c1ccc(-c2cc(F)cc(F)c2)nc1N.
What is the InChIKey of 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide?
The InChIKey is NQHNPHNREWGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4/c1-18-12(16)10-2-3-11(19-13(10)17)7-4-8(14)6-9(15)5-7/h2-6H,1H3,(H2,16,18)(H2,17,19).
What are the key properties of 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide?
2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide has a molecular weight of 262.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,5-difluorophenyl)-N'-methylpyridine-3-carboximidamide is sourced from PubChem (CID 145192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).