(2,3,6-trifluoro-4-pyridinyl)methanol

C6H4F3NO — CID 22392087

IUPAC(2,3,6-trifluoro-4-pyridinyl)methanol
SMILESOCc1cc(F)nc(F)c1F
InChIInChI=1S/C6H4F3NO/c7-4-1-3(2-11)5(8)6(9)10-4/h1,11H,2H2
InChIKeyADIUJVOFSWZKOP-UHFFFAOYSA-N
MW163.10 g/mol
LogP0.99
Rot. Bonds1

About (2,3,6-trifluoro-4-pyridinyl)methanol

(2,3,6-trifluoro-4-pyridinyl)methanol (PubChem CID 22392087) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is (2,3,6-trifluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2,3,6-trifluoro-4-pyridinyl)methanol
PubChem CID22392087
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name(2,3,6-trifluoro-4-pyridinyl)methanol
SMILESOCc1cc(F)nc(F)c1F
InChIInChI=1S/C6H4F3NO/c7-4-1-3(2-11)5(8)6(9)10-4/h1,11H,2H2
InChIKeyADIUJVOFSWZKOP-UHFFFAOYSA-N
XLogP0.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of (2,3,6-trifluoro-4-pyridinyl)methanol?
The IUPAC name of (2,3,6-trifluoro-4-pyridinyl)methanol (CID 22392087) is (2,3,6-trifluoro-4-pyridinyl)methanol.
What is the SMILES notation for (2,3,6-trifluoro-4-pyridinyl)methanol?
The canonical SMILES for (2,3,6-trifluoro-4-pyridinyl)methanol is OCc1cc(F)nc(F)c1F.
What is the InChIKey of (2,3,6-trifluoro-4-pyridinyl)methanol?
The InChIKey is ADIUJVOFSWZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-4-1-3(2-11)5(8)6(9)10-4/h1,11H,2H2.
What are the key properties of (2,3,6-trifluoro-4-pyridinyl)methanol?
(2,3,6-trifluoro-4-pyridinyl)methanol has a molecular weight of 163.10 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,6-trifluoro-4-pyridinyl)methanol is sourced from PubChem (CID 22392087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).