pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate

C14H11NO4 — CID 2913239

IUPACpyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SMILESO=C(Oc1ccccn1)C1COc2ccccc2O1
InChIInChI=1S/C14H11NO4/c16-14(19-13-7-3-4-8-15-13)12-9-17-10-5-1-2-6-11(10)18-12/h1-8,12H,9H2
InChIKeyYVWXZWVXWWUPCS-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.83
Rot. Bonds2

About pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate

pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate (PubChem CID 2913239) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate.

Molecular Properties

Compound Namepyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
PubChem CID2913239
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namepyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SMILESO=C(Oc1ccccn1)C1COc2ccccc2O1
InChIInChI=1S/C14H11NO4/c16-14(19-13-7-3-4-8-15-13)12-9-17-10-5-1-2-6-11(10)18-12/h1-8,12H,9H2
InChIKeyYVWXZWVXWWUPCS-UHFFFAOYSA-N
XLogP1.83
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl cyclopropanecarboxylate
CID 135376948
naphthalen-2-yl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7926832
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
(4-acetylphenyl) (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7741127
3-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxypropyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7503554
(1-methylbenzimidazol-5-yl) 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 90538204
2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
CID 65351120
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-oxopropanoic acid
CID 170887001
N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42778763
(2-methoxy-4-methoxycarbonylphenyl) (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 8840323
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The IUPAC name of pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate (CID 2913239) is pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate.
What is the SMILES notation for pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The canonical SMILES for pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate is O=C(Oc1ccccn1)C1COc2ccccc2O1.
What is the InChIKey of pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The InChIKey is YVWXZWVXWWUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-14(19-13-7-3-4-8-15-13)12-9-17-10-5-1-2-6-11(10)18-12/h1-8,12H,9H2.
What are the key properties of pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate is sourced from PubChem (CID 2913239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).