2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide

C12H10ClN3S — CID 62496202

IUPAC2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1ccccn1
InChIInChI=1S/C12H10ClN3S/c13-8-4-3-5-9(11(8)12(14)15)17-10-6-1-2-7-16-10/h1-7H,(H3,14,15)
InChIKeyCHVFBIDPPIVFOV-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide

2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide (PubChem CID 62496202) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
PubChem CID62496202
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1ccccn1
InChIInChI=1S/C12H10ClN3S/c13-8-4-3-5-9(11(8)12(14)15)17-10-6-1-2-7-16-10/h1-7H,(H3,14,15)
InChIKeyCHVFBIDPPIVFOV-UHFFFAOYSA-N
XLogP3.17
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.17
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-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 55079053
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
2-pyridin-2-ylsulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153741
6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboximidamide
CID 64595409
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
2-chloro-6-[methyl(2-pyridin-2-ylethyl)amino]benzenecarboximidamide
CID 62502784
3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 61091978
1-(2-chloro-6-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239874
N-[(2-chloro-6-pyridin-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63804931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide (CID 62496202) is 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Sc1ccccn1.
What is the InChIKey of 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide?
The InChIKey is CHVFBIDPPIVFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c13-8-4-3-5-9(11(8)12(14)15)17-10-6-1-2-7-16-10/h1-7H,(H3,14,15).
What are the key properties of 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide?
2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide has a molecular weight of 263.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 62496202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).