[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol

C15H14F2N2O — CID 135200646

IUPAC[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol
SMILESOCc1cccc(-c2cnc(N3CCC3)c(F)c2)c1F
InChIInChI=1S/C15H14F2N2O/c16-13-7-11(8-18-15(13)19-5-2-6-19)12-4-1-3-10(9-20)14(12)17/h1,3-4,7-8,20H,2,5-6,9H2
InChIKeyNTZMEDKYXXHDPX-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.73
Rot. Bonds3

About [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol

[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol (PubChem CID 135200646) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol
PubChem CID135200646
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol
SMILESOCc1cccc(-c2cnc(N3CCC3)c(F)c2)c1F
InChIInChI=1S/C15H14F2N2O/c16-13-7-11(8-18-15(13)19-5-2-6-19)12-4-1-3-10(9-20)14(12)17/h1,3-4,7-8,20H,2,5-6,9H2
InChIKeyNTZMEDKYXXHDPX-UHFFFAOYSA-N
XLogP2.73
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol?
The IUPAC name of [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol (CID 135200646) is [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol.
What is the SMILES notation for [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol?
The canonical SMILES for [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol is OCc1cccc(-c2cnc(N3CCC3)c(F)c2)c1F.
What is the InChIKey of [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol?
The InChIKey is NTZMEDKYXXHDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-13-7-11(8-18-15(13)19-5-2-6-19)12-4-1-3-10(9-20)14(12)17/h1,3-4,7-8,20H,2,5-6,9H2.
What are the key properties of [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol?
[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol has a molecular weight of 276.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol is sourced from PubChem (CID 135200646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).