[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol

C13H13FN2O — CID 58757246

IUPAC[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)cn2)cc1
InChIInChI=1S/C13H13FN2O/c14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10/h1-6,8,17H,7,9H2,(H,15,16)
InChIKeyWBFXOWWLAXIISJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.33
Rot. Bonds4

About [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol

[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 58757246) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID58757246
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)cn2)cc1
InChIInChI=1S/C13H13FN2O/c14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10/h1-6,8,17H,7,9H2,(H,15,16)
InChIKeyWBFXOWWLAXIISJ-UHFFFAOYSA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 58757246) is [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol is OCc1ccc(CNc2ccc(F)cn2)cc1.
What is the InChIKey of [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is WBFXOWWLAXIISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-5-6-13(16-8-12)15-7-10-1-3-11(9-17)4-2-10/h1-6,8,17H,7,9H2,(H,15,16).
What are the key properties of [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 232.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(5-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 58757246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).