(2-fluoro-4-pyridinyl)methanol

C6H6FNO — CID 11332468

IUPAC(2-fluoro-4-pyridinyl)methanol
SMILESOCc1ccnc(F)c1
InChIInChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKeyIAFXOPAZVVMMLE-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.71
Rot. Bonds1

About (2-fluoro-4-pyridinyl)methanol

(2-fluoro-4-pyridinyl)methanol (PubChem CID 11332468) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)methanol
PubChem CID11332468
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name(2-fluoro-4-pyridinyl)methanol
SMILESOCc1ccnc(F)c1
InChIInChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2
InChIKeyIAFXOPAZVVMMLE-UHFFFAOYSA-N
XLogP0.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.71
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-fluoro-4-pyridinyl)methanol?
The IUPAC name of (2-fluoro-4-pyridinyl)methanol (CID 11332468) is (2-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (2-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (2-fluoro-4-pyridinyl)methanol is OCc1ccnc(F)c1.
What is the InChIKey of (2-fluoro-4-pyridinyl)methanol?
The InChIKey is IAFXOPAZVVMMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-6-3-5(4-9)1-2-8-6/h1-3,9H,4H2.
What are the key properties of (2-fluoro-4-pyridinyl)methanol?
(2-fluoro-4-pyridinyl)methanol has a molecular weight of 127.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 11332468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).