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

C14H13ClN2OS — CID 158970235

IUPAC6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine
SMILESNc1cc(SC2CCOc3ccccc32)cc(Cl)n1
InChIInChI=1S/C14H13ClN2OS/c15-13-7-9(8-14(16)17-13)19-12-5-6-18-11-4-2-1-3-10(11)12/h1-4,7-8,12H,5-6H2,(H2,16,17)
InChIKeyKJDSYJYHEBIVGP-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.93
Rot. Bonds2

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

6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine (PubChem CID 158970235) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine
PubChem CID158970235
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine
SMILESNc1cc(SC2CCOc3ccccc32)cc(Cl)n1
InChIInChI=1S/C14H13ClN2OS/c15-13-7-9(8-14(16)17-13)19-12-5-6-18-11-4-2-1-3-10(11)12/h1-4,7-8,12H,5-6H2,(H2,16,17)
InChIKeyKJDSYJYHEBIVGP-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine (CID 158970235) is 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine is Nc1cc(SC2CCOc3ccccc32)cc(Cl)n1.
What is the InChIKey of 6-chloro-4-(3,4-dihydro-2H-chromen-4-ylsulfanyl)pyridin-2-amine?
The InChIKey is KJDSYJYHEBIVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-13-7-9(8-14(16)17-13)19-12-5-6-18-11-4-2-1-3-10(11)12/h1-4,7-8,12H,5-6H2,(H2,16,17).
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-ylsulfanyl)pyridin-2-amine has a molecular weight of 292.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 158970235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).