(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

C14H14N2O3 — CID 65350710

IUPAC(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESNc1ncccc1C(O)C1COc2ccccc2O1
InChIInChI=1S/C14H14N2O3/c15-14-9(4-3-7-16-14)13(17)12-8-18-10-5-1-2-6-11(10)19-12/h1-7,12-13,17H,8H2,(H2,15,16)
InChIKeyUGTDENGRDQMFIF-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.54
Rot. Bonds2

About (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol

(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (PubChem CID 65350710) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
PubChem CID65350710
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
SMILESNc1ncccc1C(O)C1COc2ccccc2O1
InChIInChI=1S/C14H14N2O3/c15-14-9(4-3-7-16-14)13(17)12-8-18-10-5-1-2-6-11(10)19-12/h1-7,12-13,17H,8H2,(H2,15,16)
InChIKeyUGTDENGRDQMFIF-UHFFFAOYSA-N
XLogP1.54
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65350657
(2,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61272354
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
(3,4-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61081011
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-2-ylethanamine
CID 124513814
(2-amino-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanol
CID 65425477
(5-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 61087978
3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine
CID 105230197
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]amino]ethanol
CID 12855736
2,3-dihydro-1,4-benzodioxin-3-yl-(3-methylthiophen-2-yl)methanol
CID 55006634
(2-amino-3-pyridinyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654106

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The IUPAC name of (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol (CID 65350710) is (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol.
What is the SMILES notation for (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The canonical SMILES for (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is Nc1ncccc1C(O)C1COc2ccccc2O1.
What is the InChIKey of (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
The InChIKey is UGTDENGRDQMFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c15-14-9(4-3-7-16-14)13(17)12-8-18-10-5-1-2-6-11(10)19-12/h1-7,12-13,17H,8H2,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol?
(2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol has a molecular weight of 258.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanol is sourced from PubChem (CID 65350710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).