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

C12H10Cl2N2OS — CID 61368096

IUPAC2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-4-3-8(6-10(9)14)7-18(17)12-11(15)2-1-5-16-12/h1-6H,7,15H2
InChIKeySNDSIQWKBKVMNO-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.28
Rot. Bonds3

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

2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine (PubChem CID 61368096) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
PubChem CID61368096
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine
SMILESNc1cccnc1S(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-9-4-3-8(6-10(9)14)7-18(17)12-11(15)2-1-5-16-12/h1-6H,7,15H2
InChIKeySNDSIQWKBKVMNO-UHFFFAOYSA-N
XLogP3.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine (CID 61368096) is 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine is Nc1cccnc1S(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine?
The InChIKey is SNDSIQWKBKVMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-9-4-3-8(6-10(9)14)7-18(17)12-11(15)2-1-5-16-12/h1-6H,7,15H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine?
2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine has a molecular weight of 301.20 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylsulfinyl]pyridin-3-amine is sourced from PubChem (CID 61368096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).