2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide

C13H12ClN3OS — CID 81302486

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Sc1ccc(Cl)cn1
InChIInChI=1S/C13H12ClN3OS/c1-18-9-3-4-10(13(15)16)11(6-9)19-12-5-2-8(14)7-17-12/h2-7H,1H3,(H3,15,16)
InChIKeyAKKZYUMUCMZUFW-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.18
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide (PubChem CID 81302486) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
PubChem CID81302486
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1Sc1ccc(Cl)cn1
InChIInChI=1S/C13H12ClN3OS/c1-18-9-3-4-10(13(15)16)11(6-9)19-12-5-2-8(14)7-17-12/h2-7H,1H3,(H3,15,16)
InChIKeyAKKZYUMUCMZUFW-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

4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922784
[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
CID 81304113
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
4-methoxy-2-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 81303543
4-chloro-2-(4-methoxyphenoxy)benzenecarboximidamide
CID 63093186
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-methoxy-2-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 81299483
2-(2,4-dichlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81302946
2-cyclohexylsulfanyl-4-methoxybenzenecarboximidamide
CID 81302879

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide (CID 81302486) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1Sc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide?
The InChIKey is AKKZYUMUCMZUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-18-9-3-4-10(13(15)16)11(6-9)19-12-5-2-8(14)7-17-12/h2-7H,1H3,(H3,15,16).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide 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 2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81302486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).