6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide

C12H9F2N3S — CID 64593647

IUPAC6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H9F2N3S/c13-7-4-5-10(8(14)6-7)18-11-3-1-2-9(17-11)12(15)16/h1-6H,(H3,15,16)
InChIKeyANICNCYDZAGEKO-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.80
Rot. Bonds3

About 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide

6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide (PubChem CID 64593647) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide
PubChem CID64593647
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C12H9F2N3S/c13-7-4-5-10(8(14)6-7)18-11-3-1-2-9(17-11)12(15)16/h1-6H,(H3,15,16)
InChIKeyANICNCYDZAGEKO-UHFFFAOYSA-N
XLogP2.80
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.80
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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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidine-4-carboximidamide
CID 107551795
2-(2,4-difluorophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522536
2-chloro-6-(2,4-difluorophenyl)sulfanylpyridine
CID 60726004
pyridine-2,6-dicarboximidamide
CID 23373306
6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboximidamide
CID 64595409
6-(2,4-difluorophenyl)sulfanylpyridazine-3-carboxylic acid
CID 60792591
6-(5-fluoro-2-nitrophenoxy)pyridine-2-carboximidamide
CID 64593831
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
6-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyridine-2-carboximidamide
CID 107786027
5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
CID 63669702
3-(2,4-difluorophenyl)sulfanylpropanimidamide
CID 43345486
6-(2-methoxyphenyl)pyridine-2-carboximidamide
CID 14281216

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide (CID 64593647) is 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide?
The InChIKey is ANICNCYDZAGEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c13-7-4-5-10(8(14)6-7)18-11-3-1-2-9(17-11)12(15)16/h1-6H,(H3,15,16).
What are the key properties of 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide?
6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide has a molecular weight of 265.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 64593647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).