2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone

C15H13NO4 — CID 115793344

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13NO4/c1-18-12-6-11(8-16-9-12)15(17)10-2-3-13-14(7-10)20-5-4-19-13/h2-3,6-9H,4-5H2,1H3
InChIKeyVOPBQQYHGYVSMN-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.09
Rot. Bonds3

About 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone (PubChem CID 115793344) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
PubChem CID115793344
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
SMILESCOc1cncc(C(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13NO4/c1-18-12-6-11(8-16-9-12)15(17)10-2-3-13-14(7-10)20-5-4-19-13/h2-3,6-9H,4-5H2,1H3
InChIKeyVOPBQQYHGYVSMN-UHFFFAOYSA-N
XLogP2.09
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 60786281
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxythiophen-2-yl)methanone
CID 81127963
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82294568
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
[24-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene-11-carbonyl)-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-(2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-yl)methanone
CID 3265829
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245363
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethoxyphenyl)ethenamine
CID 70327993
[3-amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005120
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2,3-dihydro-1,4-benzodioxin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105094160
(4-amino-3,5-dichlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116609838
(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 83950930

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone (CID 115793344) is 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone is COc1cncc(C(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone?
The InChIKey is VOPBQQYHGYVSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-18-12-6-11(8-16-9-12)15(17)10-2-3-13-14(7-10)20-5-4-19-13/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone has a molecular weight of 271.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115793344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).