[4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol

C8H11FN2O — CID 19791244

IUPAC[4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol
SMILESCN(C)c1cc(CO)ncc1F
InChIInChI=1S/C8H11FN2O/c1-11(2)8-3-6(5-12)10-4-7(8)9/h3-4,12H,5H2,1-2H3
InChIKeyXEMZWZYRDDSGSR-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.78
Rot. Bonds2

About [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol

[4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol (PubChem CID 19791244) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol
PubChem CID19791244
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name[4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol
SMILESCN(C)c1cc(CO)ncc1F
InChIInChI=1S/C8H11FN2O/c1-11(2)8-3-6(5-12)10-4-7(8)9/h3-4,12H,5H2,1-2H3
InChIKeyXEMZWZYRDDSGSR-UHFFFAOYSA-N
XLogP0.78
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol?
The IUPAC name of [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol (CID 19791244) is [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol is CN(C)c1cc(CO)ncc1F.
What is the InChIKey of [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol?
The InChIKey is XEMZWZYRDDSGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-11(2)8-3-6(5-12)10-4-7(8)9/h3-4,12H,5H2,1-2H3.
What are the key properties of [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol?
[4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol has a molecular weight of 170.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-5-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 19791244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).