3-[(4-fluoro-3-methylphenyl)methyl]pyridine

C13H12FN — CID 175091377

IUPAC3-[(4-fluoro-3-methylphenyl)methyl]pyridine
SMILESCc1cc(Cc2cccnc2)ccc1F
InChIInChI=1S/C13H12FN/c1-10-7-11(4-5-13(10)14)8-12-3-2-6-15-9-12/h2-7,9H,8H2,1H3
InChIKeyZXBFIGSTFOJHPA-UHFFFAOYSA-N
MW201.24 g/mol
LogP3.12
Rot. Bonds2

About 3-[(4-fluoro-3-methylphenyl)methyl]pyridine

3-[(4-fluoro-3-methylphenyl)methyl]pyridine (PubChem CID 175091377) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methylphenyl)methyl]pyridine.

Molecular Properties

Compound Name3-[(4-fluoro-3-methylphenyl)methyl]pyridine
PubChem CID175091377
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name3-[(4-fluoro-3-methylphenyl)methyl]pyridine
SMILESCc1cc(Cc2cccnc2)ccc1F
InChIInChI=1S/C13H12FN/c1-10-7-11(4-5-13(10)14)8-12-3-2-6-15-9-12/h2-7,9H,8H2,1H3
InChIKeyZXBFIGSTFOJHPA-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(pyridin-3-ylmethyl)phenol
CID 13365794
2-methyl-5-(pyridin-3-ylmethyl)aniline
CID 104736835
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-[[2-fluoro-4-(pyridin-3-ylmethyl)phenyl]methyl]ethanamine
CID 113447026
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723
3-[(4-bromo-2,6-difluorophenyl)methyl]pyridine
CID 121269348
4,5-difluoro-2-(pyridin-3-ylmethyl)aniline
CID 90291449
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
3-methyl-5-(pyridin-3-ylmethyl)aniline
CID 107579669
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]pyridine?
The IUPAC name of 3-[(4-fluoro-3-methylphenyl)methyl]pyridine (CID 175091377) is 3-[(4-fluoro-3-methylphenyl)methyl]pyridine.
What is the SMILES notation for 3-[(4-fluoro-3-methylphenyl)methyl]pyridine?
The canonical SMILES for 3-[(4-fluoro-3-methylphenyl)methyl]pyridine is Cc1cc(Cc2cccnc2)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methylphenyl)methyl]pyridine?
The InChIKey is ZXBFIGSTFOJHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN/c1-10-7-11(4-5-13(10)14)8-12-3-2-6-15-9-12/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(4-fluoro-3-methylphenyl)methyl]pyridine?
3-[(4-fluoro-3-methylphenyl)methyl]pyridine has a molecular weight of 201.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methylphenyl)methyl]pyridine is sourced from PubChem (CID 175091377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).