2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine

C12H11FN2O — CID 126955092

IUPAC2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine
SMILESCc1cccc(COc2ncccc2F)n1
InChIInChI=1S/C12H11FN2O/c1-9-4-2-5-10(15-9)8-16-12-11(13)6-3-7-14-12/h2-7H,8H2,1H3
InChIKeyXIPIVCKMLMPBIR-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.50
Rot. Bonds3

About 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine

2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine (PubChem CID 126955092) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine
PubChem CID126955092
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine
SMILESCc1cccc(COc2ncccc2F)n1
InChIInChI=1S/C12H11FN2O/c1-9-4-2-5-10(15-9)8-16-12-11(13)6-3-7-14-12/h2-7H,8H2,1H3
InChIKeyXIPIVCKMLMPBIR-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine (CID 126955092) is 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine is Cc1cccc(COc2ncccc2F)n1.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine?
The InChIKey is XIPIVCKMLMPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-9-4-2-5-10(15-9)8-16-12-11(13)6-3-7-14-12/h2-7H,8H2,1H3.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine?
2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine has a molecular weight of 218.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylpyridine is sourced from PubChem (CID 126955092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).