2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid

C14H11NO4 — CID 82089170

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11NO4/c16-14(17)10-2-1-5-15-13(10)9-3-4-11-12(8-9)19-7-6-18-11/h1-5,8H,6-7H2,(H,16,17)
InChIKeyDTAAMMFAWGOIOT-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid

2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid (PubChem CID 82089170) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
PubChem CID82089170
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11NO4/c16-14(17)10-2-1-5-15-13(10)9-3-4-11-12(8-9)19-7-6-18-11/h1-5,8H,6-7H2,(H,16,17)
InChIKeyDTAAMMFAWGOIOT-UHFFFAOYSA-N
XLogP2.22
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid (CID 82089170) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid?
The InChIKey is DTAAMMFAWGOIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-14(17)10-2-1-5-15-13(10)9-3-4-11-12(8-9)19-7-6-18-11/h1-5,8H,6-7H2,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82089170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).