3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine

C14H14FNO — CID 107171333

IUPAC3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
SMILESCc1cncc(COc2ccc(C)c(F)c2)c1
InChIInChI=1S/C14H14FNO/c1-10-5-12(8-16-7-10)9-17-13-4-3-11(2)14(15)6-13/h3-8H,9H2,1-2H3
InChIKeyQLSKBSCTRGLQCI-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.42
Rot. Bonds3

About 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine

3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine (PubChem CID 107171333) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
PubChem CID107171333
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
SMILESCc1cncc(COc2ccc(C)c(F)c2)c1
InChIInChI=1S/C14H14FNO/c1-10-5-12(8-16-7-10)9-17-13-4-3-11(2)14(15)6-13/h3-8H,9H2,1-2H3
InChIKeyQLSKBSCTRGLQCI-UHFFFAOYSA-N
XLogP3.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705
1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107715801
(1R)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718139
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
CID 102881690
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine?
The IUPAC name of 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine (CID 107171333) is 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine?
The canonical SMILES for 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine is Cc1cncc(COc2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine?
The InChIKey is QLSKBSCTRGLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-10-5-12(8-16-7-10)9-17-13-4-3-11(2)14(15)6-13/h3-8H,9H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine?
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine has a molecular weight of 231.27 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine is sourced from PubChem (CID 107171333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).