2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol

C16H18N2O2 — CID 65410962

IUPAC2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
SMILESNc1cc(CC(O)C2COc3ccccc3C2)ccn1
InChIInChI=1S/C16H18N2O2/c17-16-8-11(5-6-18-16)7-14(19)13-9-12-3-1-2-4-15(12)20-10-13/h1-6,8,13-14,19H,7,9-10H2,(H2,17,18)
InChIKeyCEYBYOQYAOSWDN-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.82
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol

2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol (PubChem CID 65410962) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
PubChem CID65410962
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
SMILESNc1cc(CC(O)C2COc3ccccc3C2)ccn1
InChIInChI=1S/C16H18N2O2/c17-16-8-11(5-6-18-16)7-14(19)13-9-12-3-1-2-4-15(12)20-10-13/h1-6,8,13-14,19H,7,9-10H2,(H2,17,18)
InChIKeyCEYBYOQYAOSWDN-UHFFFAOYSA-N
XLogP1.82
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol (CID 65410962) is 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol is Nc1cc(CC(O)C2COc3ccccc3C2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
The InChIKey is CEYBYOQYAOSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c17-16-8-11(5-6-18-16)7-14(19)13-9-12-3-1-2-4-15(12)20-10-13/h1-6,8,13-14,19H,7,9-10H2,(H2,17,18).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol?
2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol has a molecular weight of 270.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol is sourced from PubChem (CID 65410962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).