(3-fluoro-2-pyridinyl)methanol

C6H6FNO — CID 19703803

IUPAC(3-fluoro-2-pyridinyl)methanol
SMILESOCc1ncccc1F
InChIInChI=1S/C6H6FNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
InChIKeyFKTCIWBKNWUDAX-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.71
Rot. Bonds1

About (3-fluoro-2-pyridinyl)methanol

(3-fluoro-2-pyridinyl)methanol (PubChem CID 19703803) has the molecular formula C6H6FNO and a molecular weight of 127.12 g/mol. Its IUPAC name is (3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-pyridinyl)methanol
PubChem CID19703803
Molecular FormulaC6H6FNO
Molecular Weight127.12 g/mol
Exact Mass127.04
IUPAC Name(3-fluoro-2-pyridinyl)methanol
SMILESOCc1ncccc1F
InChIInChI=1S/C6H6FNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
InChIKeyFKTCIWBKNWUDAX-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

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-pyridinyl)methanol?
The IUPAC name of (3-fluoro-2-pyridinyl)methanol (CID 19703803) is (3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (3-fluoro-2-pyridinyl)methanol is OCc1ncccc1F.
What is the InChIKey of (3-fluoro-2-pyridinyl)methanol?
The InChIKey is FKTCIWBKNWUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2.
What are the key properties of (3-fluoro-2-pyridinyl)methanol?
(3-fluoro-2-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 (3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 19703803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).