3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide

C13H12ClN3OS — CID 107060943

IUPAC3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ccccc2OC)c1Cl
InChIInChI=1S/C13H12ClN3OS/c1-18-9-4-2-3-5-10(9)19-13-11(14)8(12(15)16)6-7-17-13/h2-7H,1H3,(H3,15,16)
InChIKeyVMCMMUFUDRYWPV-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.18
Rot. Bonds4

About 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide

3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide (PubChem CID 107060943) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
PubChem CID107060943
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ccccc2OC)c1Cl
InChIInChI=1S/C13H12ClN3OS/c1-18-9-4-2-3-5-10(9)19-13-11(14)8(12(15)16)6-7-17-13/h2-7H,1H3,(H3,15,16)
InChIKeyVMCMMUFUDRYWPV-UHFFFAOYSA-N
XLogP3.18
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.18
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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Related Compounds

5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109
3-chloro-2-quinazolin-4-ylsulfanylpyridine-4-carboximidamide
CID 107060940
3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107060942
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
CID 107060954
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107537085
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
CID 107060606
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-[(3-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 107060952
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
5-methoxyisoquinoline-1-carboximidamide
CID 82573377
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide (CID 107060943) is 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Sc2ccccc2OC)c1Cl.
What is the InChIKey of 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide?
The InChIKey is VMCMMUFUDRYWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-18-9-4-2-3-5-10(9)19-13-11(14)8(12(15)16)6-7-17-13/h2-7H,1H3,(H3,15,16).
What are the key properties of 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide?
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide has a molecular weight of 293.78 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide is sourced from PubChem (CID 107060943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).