5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide

C12H9Cl2N3S — CID 112736289

IUPAC5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C12H9Cl2N3S/c13-7-3-8(14)5-10(4-7)18-9-1-2-11(12(15)16)17-6-9/h1-6H,(H3,15,16)
InChIKeyRFOKYVVHAYGDNR-UHFFFAOYSA-N
MW298.20 g/mol
LogP3.82
Rot. Bonds3

About 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide

5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide (PubChem CID 112736289) has the molecular formula C12H9Cl2N3S and a molecular weight of 298.20 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
PubChem CID112736289
Molecular FormulaC12H9Cl2N3S
Molecular Weight298.20 g/mol
Exact Mass296.99
IUPAC Name5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C12H9Cl2N3S/c13-7-3-8(14)5-10(4-7)18-9-1-2-11(12(15)16)17-6-9/h1-6H,(H3,15,16)
InChIKeyRFOKYVVHAYGDNR-UHFFFAOYSA-N
XLogP3.82
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 53.82
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

5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384
5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
CID 115490175
5-(3-hydroxypropylsulfanyl)pyridine-2-carboximidamide
CID 115490174
5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
CID 115490107
5-(7H-purin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490148
4-(3,5-dichlorophenoxy)pyridine-2-carboximidamide
CID 62925834

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide?
The IUPAC name of 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide (CID 112736289) is 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide?
The canonical SMILES for 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide?
The InChIKey is RFOKYVVHAYGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S/c13-7-3-8(14)5-10(4-7)18-9-1-2-11(12(15)16)17-6-9/h1-6H,(H3,15,16).
What are the key properties of 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide?
5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide has a molecular weight of 298.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 112736289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).