2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine

C13H10ClNO2S — CID 113221068

IUPAC2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
SMILESClc1cccc(Sc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H10ClNO2S/c14-12-2-1-3-13(15-12)18-9-4-5-10-11(8-9)17-7-6-16-10/h1-5,8H,6-7H2
InChIKeyPXTLTCZWWCTNMG-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine

2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine (PubChem CID 113221068) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
PubChem CID113221068
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine
SMILESClc1cccc(Sc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H10ClNO2S/c14-12-2-1-3-13(15-12)18-9-4-5-10-11(8-9)17-7-6-16-10/h1-5,8H,6-7H2
InChIKeyPXTLTCZWWCTNMG-UHFFFAOYSA-N
XLogP3.66
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-pyridinyl]methanamine
CID 115478659
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboxylic acid
CID 115478234
4-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-2-propan-2-ylpyrimidine
CID 115478614
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 115480572
2-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methylpyridine
CID 83269545
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 60727080
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)aniline
CID 115478293
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyrimidin-4-amine
CID 115479558
4,5-dichloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)aniline
CID 115478328
4-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-methylpyrimidine
CID 115478629
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)benzonitrile
CID 115478412
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridin-3-amine
CID 115478291

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine?
The IUPAC name of 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine (CID 113221068) is 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine?
The canonical SMILES for 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine is Clc1cccc(Sc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine?
The InChIKey is PXTLTCZWWCTNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-12-2-1-3-13(15-12)18-9-4-5-10-11(8-9)17-7-6-16-10/h1-5,8H,6-7H2.
What are the key properties of 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine?
2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine has a molecular weight of 279.75 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine is sourced from PubChem (CID 113221068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).