4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid

C16H18FNO3 — CID 175513223

IUPAC4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid
SMILESCCC(=O)O.Cc1cncc(OCc2ccccc2)c1F
InChIInChI=1S/C13H12FNO.C3H6O2/c1-10-7-15-8-12(13(10)14)16-9-11-5-3-2-4-6-11;1-2-3(4)5/h2-8H,9H2,1H3;2H2,1H3,(H,4,5)
InChIKeyOSJSEORLWOUNPS-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.59
Rot. Bonds4

About 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid

4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid (PubChem CID 175513223) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid
PubChem CID175513223
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid
SMILESCCC(=O)O.Cc1cncc(OCc2ccccc2)c1F
InChIInChI=1S/C13H12FNO.C3H6O2/c1-10-7-15-8-12(13(10)14)16-9-11-5-3-2-4-6-11;1-2-3(4)5/h2-8H,9H2,1H3;2H2,1H3,(H,4,5)
InChIKeyOSJSEORLWOUNPS-UHFFFAOYSA-N
XLogP3.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
4-fluoro-5-methyl-3-phenylmethoxypyridine-2-carboxylic acid
CID 166140574
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
3-[(2-fluoro-3-methylphenoxy)methyl]benzoic acid
CID 113435752
methyl 6-fluoro-5-phenylmethoxypyridine-3-carboxylate
CID 164892253

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid?
The IUPAC name of 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid (CID 175513223) is 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid.
What is the SMILES notation for 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid?
The canonical SMILES for 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid is CCC(=O)O.Cc1cncc(OCc2ccccc2)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid?
The InChIKey is OSJSEORLWOUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO.C3H6O2/c1-10-7-15-8-12(13(10)14)16-9-11-5-3-2-4-6-11;1-2-3(4)5/h2-8H,9H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid?
4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid has a molecular weight of 291.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-phenylmethoxypyridine;propanoic acid is sourced from PubChem (CID 175513223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).