4-[(2-fluoro-3-methylphenoxy)methyl]pyridine

C13H12FNO — CID 107661921

IUPAC4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
SMILESCc1cccc(OCc2ccncc2)c1F
InChIInChI=1S/C13H12FNO/c1-10-3-2-4-12(13(10)14)16-9-11-5-7-15-8-6-11/h2-8H,9H2,1H3
InChIKeyUQNQGWVPBALFNK-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.11
Rot. Bonds3

About 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine

4-[(2-fluoro-3-methylphenoxy)methyl]pyridine (PubChem CID 107661921) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
PubChem CID107661921
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
SMILESCc1cccc(OCc2ccncc2)c1F
InChIInChI=1S/C13H12FNO/c1-10-3-2-4-12(13(10)14)16-9-11-5-7-15-8-6-11/h2-8H,9H2,1H3
InChIKeyUQNQGWVPBALFNK-UHFFFAOYSA-N
XLogP3.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
3-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661892
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
3-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 107660278
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
trifluoro-[2-(pyridin-4-ylmethoxy)phenyl]boranuide
CID 63677237
2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 107661159
[6-[(2-fluoro-3-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 107661220
5-[(2-fluoro-3-methylphenoxy)methyl]-1-methylimidazole
CID 103990878
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
2-(pyridin-4-ylmethoxy)aniline
CID 16788077
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine?
The IUPAC name of 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine (CID 107661921) is 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine.
What is the SMILES notation for 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine?
The canonical SMILES for 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine is Cc1cccc(OCc2ccncc2)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine?
The InChIKey is UQNQGWVPBALFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-10-3-2-4-12(13(10)14)16-9-11-5-7-15-8-6-11/h2-8H,9H2,1H3.
What are the key properties of 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine?
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine has a molecular weight of 217.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methylphenoxy)methyl]pyridine is sourced from PubChem (CID 107661921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).