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

C15H13NO3 — CID 63840653

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13NO3/c1-10-4-5-16-12(8-10)15(17)11-2-3-13-14(9-11)19-7-6-18-13/h2-5,8-9H,6-7H2,1H3
InChIKeyLNUNXAPUECVEQV-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.39
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone (PubChem CID 63840653) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
PubChem CID63840653
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C15H13NO3/c1-10-4-5-16-12(8-10)15(17)11-2-3-13-14(9-11)19-7-6-18-13/h2-5,8-9H,6-7H2,1H3
InChIKeyLNUNXAPUECVEQV-UHFFFAOYSA-N
XLogP2.39
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl(1,2,5-thiadiazol-3-yl)methanone
CID 105094160
2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-4-yl)methanone
CID 105094278
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(6-methoxypyrimidin-4-yl)methanone
CID 102950039
(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 106860734
2,3-dihydrofuran-5-yl-(4-methyl-2-pyridinyl)methanone
CID 102650937
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 82294568
[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
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091385
2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-3-yl)methanone
CID 43462591
2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-pyridinyl)ethanone
CID 142578103
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90354493
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 43629621

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone (CID 63840653) is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone is Cc1ccnc(C(=O)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone?
The InChIKey is LNUNXAPUECVEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-4-5-16-12(8-10)15(17)11-2-3-13-14(9-11)19-7-6-18-13/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone has a molecular weight of 255.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 63840653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).