6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane

C36H46Cl2N4O6S2 — CID 158970234

IUPAC6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane
SMILESCCOCC.CCOCC.Nc1cc(S(=O)(=O)C2CCOc3ccccc32)cc(Cl)n1.Nc1cc(SC2CCOc3ccccc32)cc(Cl)n1
InChIInChI=1S/C14H13ClN2O3S.C14H13ClN2OS.2C4H10O/c15-13-7-9(8-14(16)17-13)21(18,19)12-5-6-20-11-4-2-1-3-10(11)12;15-13-7-9(8-14(16)17-13)19-12-5-6-18-11-4-2-1-3-10(11)12;2*1-3-5-4-2/h1-4,7-8,12H,5-6H2,(H2,16,17);1-4,7-8,12H,5-6H2,(H2,16,17);2*3-4H2,1-2H3
InChIKeyJNSIOGITCUYTNW-UHFFFAOYSA-N
MW765.83 g/mol
LogP8.63
Rot. Bonds8

About 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane

6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane (PubChem CID 158970234) has the molecular formula C36H46Cl2N4O6S2 and a molecular weight of 765.83 g/mol. Its IUPAC name is 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane.

Molecular Properties

Compound Name6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane
PubChem CID158970234
Molecular FormulaC36H46Cl2N4O6S2
Molecular Weight765.83 g/mol
Exact Mass764.22
IUPAC Name6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane
SMILESCCOCC.CCOCC.Nc1cc(S(=O)(=O)C2CCOc3ccccc32)cc(Cl)n1.Nc1cc(SC2CCOc3ccccc32)cc(Cl)n1
InChIInChI=1S/C14H13ClN2O3S.C14H13ClN2OS.2C4H10O/c15-13-7-9(8-14(16)17-13)21(18,19)12-5-6-20-11-4-2-1-3-10(11)12;15-13-7-9(8-14(16)17-13)19-12-5-6-18-11-4-2-1-3-10(11)12;2*1-3-5-4-2/h1-4,7-8,12H,5-6H2,(H2,16,17);1-4,7-8,12H,5-6H2,(H2,16,17);2*3-4H2,1-2H3
InChIKeyJNSIOGITCUYTNW-UHFFFAOYSA-N
XLogP8.63
TPSA148.88 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.83
LogP ≤ 58.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane?
The IUPAC name of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane (CID 158970234) is 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane.
What is the SMILES notation for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane?
The canonical SMILES for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane is CCOCC.CCOCC.Nc1cc(S(=O)(=O)C2CCOc3ccccc32)cc(Cl)n1.Nc1cc(SC2CCOc3ccccc32)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane?
The InChIKey is JNSIOGITCUYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S.C14H13ClN2OS.2C4H10O/c15-13-7-9(8-14(16)17-13)21(18,19)12-5-6-20-11-4-2-1-3-10(11)12;15-13-7-9(8-14(16)17-13)19-12-5-6-18-11-4-2-1-3-10(11)12;2*1-3-5-4-2/h1-4,7-8,12H,5-6H2,(H2,16,17);1-4,7-8,12H,5-6H2,(H2,16,17);2*3-4H2,1-2H3.
What are the key properties of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane?
6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane has a molecular weight of 765.83 g/mol, XLogP of 8.63, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine;6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfonyl)pyridin-2-amine;ethoxyethane is sourced from PubChem (CID 158970234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).