2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol

C9H9F4NO — CID 58280007

IUPAC2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol
SMILESCC(C)(c1ccc(O)c(F)n1)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c1-8(2,9(11,12)13)6-4-3-5(15)7(10)14-6/h3-4,15H,1-2H3
InChIKeyONRORCFYNWBZPO-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.77
Rot. Bonds1

About 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol

2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol (PubChem CID 58280007) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol
PubChem CID58280007
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol
SMILESCC(C)(c1ccc(O)c(F)n1)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c1-8(2,9(11,12)13)6-4-3-5(15)7(10)14-6/h3-4,15H,1-2H3
InChIKeyONRORCFYNWBZPO-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-ethyl-3-hydroxypyridine
CID 114681
2,6-Dimethyl-3-pyridinol
CID 70732
2-(1,1-Dimethylethyl)-3-pyridinol
CID 173956
6-Methyl-2-ethyl-3-hydroxypyridine hydrochloride
CID 128852
2-Iodo-6-methylpyridin-3-ol
CID 89957
2-[2-(4-Hydroxyphenyl)ethyl]-6-methylpyridin-3-ol;hydrochloride
CID 16192640
2,6-Diethyl-4-methylpyridin-3-ol
CID 910447
6-Methyl-2-(2-phenylethyl)pyridin-3-ol
CID 770061
2-tert-Butyl-6-methyl-3-hydroxypyridine
CID 173957
2-Methyl-3-hydroxy-6-iodopyridine
CID 12194211
6-Methyl-2-(2-methylpropyl)pyridin-3-ol
CID 659241
4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-(2-methyl-propenyl)-pyridin-3-ol
CID 44275085

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol?
The IUPAC name of 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol (CID 58280007) is 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol.
What is the SMILES notation for 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol?
The canonical SMILES for 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol is CC(C)(c1ccc(O)c(F)n1)C(F)(F)F.
What is the InChIKey of 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol?
The InChIKey is ONRORCFYNWBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-8(2,9(11,12)13)6-4-3-5(15)7(10)14-6/h3-4,15H,1-2H3.
What are the key properties of 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol?
2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol has a molecular weight of 223.17 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-3-ol is sourced from PubChem (CID 58280007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).