2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine

C17H16ClNO3 — CID 142380904

IUPAC2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine
SMILESC=Cc1cc(-c2c(Cl)c(OC)cc3c2OCCO3)ncc1C
InChIInChI=1S/C17H16ClNO3/c1-4-11-7-12(19-9-10(11)2)15-16(18)13(20-3)8-14-17(15)22-6-5-21-14/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNDRIIRSXLAOCSY-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.13
Rot. Bonds3

About 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine

2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine (PubChem CID 142380904) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine.

Molecular Properties

Compound Name2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine
PubChem CID142380904
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine
SMILESC=Cc1cc(-c2c(Cl)c(OC)cc3c2OCCO3)ncc1C
InChIInChI=1S/C17H16ClNO3/c1-4-11-7-12(19-9-10(11)2)15-16(18)13(20-3)8-14-17(15)22-6-5-21-14/h4,7-9H,1,5-6H2,2-3H3
InChIKeyNDRIIRSXLAOCSY-UHFFFAOYSA-N
XLogP4.13
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine?
The IUPAC name of 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine (CID 142380904) is 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine.
What is the SMILES notation for 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine?
The canonical SMILES for 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine is C=Cc1cc(-c2c(Cl)c(OC)cc3c2OCCO3)ncc1C.
What is the InChIKey of 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine?
The InChIKey is NDRIIRSXLAOCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-4-11-7-12(19-9-10(11)2)15-16(18)13(20-3)8-14-17(15)22-6-5-21-14/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine?
2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine has a molecular weight of 317.77 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-4-ethenyl-5-methylpyridine is sourced from PubChem (CID 142380904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).