4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine

C12H10Cl2N2S — CID 107306654

IUPAC4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2S/c13-9-3-1-2-8(12(9)14)7-17-11-4-5-16-6-10(11)15/h1-6H,7,15H2
InChIKeyRYJNFQJXGFKEOK-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.26
Rot. Bonds3

About 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine

4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 107306654) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
PubChem CID107306654
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine
SMILESNc1cnccc1SCc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2S/c13-9-3-1-2-8(12(9)14)7-17-11-4-5-16-6-10(11)15/h1-6H,7,15H2
InChIKeyRYJNFQJXGFKEOK-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanylmethyl]benzonitrile
CID 43299591
4-[(3-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300012
3-[(3-amino-4-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 62894086
4-[(2-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43300122
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
[3-[(2-chlorophenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 103288916
methyl 2-[2-[(3-amino-4-pyridinyl)sulfanylmethyl]phenyl]acetate
CID 115460918
2-[(2,3-dichlorophenyl)methylsulfanyl]pyridine
CID 19590526
4-[(2-bromo-4-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300126
1-(2,3-dichlorophenyl)-3-pyridin-3-ylpropan-2-amine
CID 107308540
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine (CID 107306654) is 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine is Nc1cnccc1SCc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is RYJNFQJXGFKEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c13-9-3-1-2-8(12(9)14)7-17-11-4-5-16-6-10(11)15/h1-6H,7,15H2.
What are the key properties of 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine?
4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 285.20 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 107306654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).