(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol

C8H10FNO2 — CID 146531706

IUPAC(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
SMILESCOC(O)c1cnc(F)c(C)c1
InChIInChI=1S/C8H10FNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4,8,11H,1-2H3
InChIKeySZVVBKFJTQAIGI-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.17
Rot. Bonds2

About (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol

(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol (PubChem CID 146531706) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol.

Molecular Properties

Compound Name(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
PubChem CID146531706
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol
SMILESCOC(O)c1cnc(F)c(C)c1
InChIInChI=1S/C8H10FNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4,8,11H,1-2H3
InChIKeySZVVBKFJTQAIGI-UHFFFAOYSA-N
XLogP1.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol?
The IUPAC name of (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol (CID 146531706) is (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol.
What is the SMILES notation for (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol?
The canonical SMILES for (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol is COC(O)c1cnc(F)c(C)c1.
What is the InChIKey of (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol?
The InChIKey is SZVVBKFJTQAIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c1-5-3-6(8(11)12-2)4-10-7(5)9/h3-4,8,11H,1-2H3.
What are the key properties of (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol?
(6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol has a molecular weight of 171.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-5-methyl-3-pyridinyl)-methoxymethanol is sourced from PubChem (CID 146531706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).