2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol

C14H14N2O3 — CID 164562172

IUPAC2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2c(cc1N)Oc1ccccc1O2
InChIInChI=1S/C14H14N2O3/c1-14(2,17)12-8(15)7-11-13(16-12)19-10-6-4-3-5-9(10)18-11/h3-7,17H,15H2,1-2H3
InChIKeyVUEMNPKTISKDNY-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.79
Rot. Bonds1

About 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol

2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol (PubChem CID 164562172) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol
PubChem CID164562172
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol
SMILESCC(C)(O)c1nc2c(cc1N)Oc1ccccc1O2
InChIInChI=1S/C14H14N2O3/c1-14(2,17)12-8(15)7-11-13(16-12)19-10-6-4-3-5-9(10)18-11/h3-7,17H,15H2,1-2H3
InChIKeyVUEMNPKTISKDNY-UHFFFAOYSA-N
XLogP2.79
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-Amino-6-[[5-amino-6-(2-hydroxypropan-2-yl)-3-pyridinyl]oxy]-2-pyridinyl]propan-2-ol
CID 154951849
6-(2,3-Dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine
CID 163259502
2-[3-(Dibenzylamino)-[1,4]benzodioxino[3,2-b]pyridin-2-yl]propan-2-ol
CID 164562177
[5-(5-Amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 169618666
1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol
CID 171480348
6-Methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-amine
CID 15633303
[4-[(3-Amino-6-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
CID 107742564
[6-(5-Amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 167929649

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol?
The IUPAC name of 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol (CID 164562172) is 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol?
The canonical SMILES for 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol is CC(C)(O)c1nc2c(cc1N)Oc1ccccc1O2.
What is the InChIKey of 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol?
The InChIKey is VUEMNPKTISKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-14(2,17)12-8(15)7-11-13(16-12)19-10-6-4-3-5-9(10)18-11/h3-7,17H,15H2,1-2H3.
What are the key properties of 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol?
2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol has a molecular weight of 258.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-[1,4]benzodioxino[3,2-b]pyridin-2-yl)propan-2-ol is sourced from PubChem (CID 164562172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).