2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol

C13H18F2N2O — CID 176702129

IUPAC2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol
SMILESCC(C)c1cnc2c(c1)CN(CCO)CC2(F)F
InChIInChI=1S/C13H18F2N2O/c1-9(2)10-5-11-7-17(3-4-18)8-13(14,15)12(11)16-6-10/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyJMAXITSAHGDVOF-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.10
Rot. Bonds3

About 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol

2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol (PubChem CID 176702129) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol.

Molecular Properties

Compound Name2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol
PubChem CID176702129
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol
SMILESCC(C)c1cnc2c(c1)CN(CCO)CC2(F)F
InChIInChI=1S/C13H18F2N2O/c1-9(2)10-5-11-7-17(3-4-18)8-13(14,15)12(11)16-6-10/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyJMAXITSAHGDVOF-UHFFFAOYSA-N
XLogP2.10
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol?
The IUPAC name of 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol (CID 176702129) is 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol.
What is the SMILES notation for 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol?
The canonical SMILES for 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol is CC(C)c1cnc2c(c1)CN(CCO)CC2(F)F.
What is the InChIKey of 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol?
The InChIKey is JMAXITSAHGDVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(2)10-5-11-7-17(3-4-18)8-13(14,15)12(11)16-6-10/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol?
2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol has a molecular weight of 256.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-difluoro-3-propan-2-yl-5,7-dihydro-1,6-naphthyridin-6-yl)ethanol is sourced from PubChem (CID 176702129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).