(2,6-difluoro-3-pyridinyl)methanol

C6H5F2NO — CID 56587689

IUPAC(2,6-difluoro-3-pyridinyl)methanol
SMILESOCc1ccc(F)nc1F
InChIInChI=1S/C6H5F2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
InChIKeyJVXVIWNFMWKXER-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.85
Rot. Bonds1

About (2,6-difluoro-3-pyridinyl)methanol

(2,6-difluoro-3-pyridinyl)methanol (PubChem CID 56587689) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is (2,6-difluoro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-pyridinyl)methanol
PubChem CID56587689
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name(2,6-difluoro-3-pyridinyl)methanol
SMILESOCc1ccc(F)nc1F
InChIInChI=1S/C6H5F2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2
InChIKeyJVXVIWNFMWKXER-UHFFFAOYSA-N
XLogP0.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.85
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 (2,6-difluoro-3-pyridinyl)methanol?
The IUPAC name of (2,6-difluoro-3-pyridinyl)methanol (CID 56587689) is (2,6-difluoro-3-pyridinyl)methanol.
What is the SMILES notation for (2,6-difluoro-3-pyridinyl)methanol?
The canonical SMILES for (2,6-difluoro-3-pyridinyl)methanol is OCc1ccc(F)nc1F.
What is the InChIKey of (2,6-difluoro-3-pyridinyl)methanol?
The InChIKey is JVXVIWNFMWKXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-2,10H,3H2.
What are the key properties of (2,6-difluoro-3-pyridinyl)methanol?
(2,6-difluoro-3-pyridinyl)methanol has a molecular weight of 145.11 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-pyridinyl)methanol is sourced from PubChem (CID 56587689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).