2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid

C22H20FNO3 — CID 58415816

IUPAC2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid
SMILESCOc1ccc(F)cc1-c1ncc(Cc2ccc(C)cc2C(=O)O)cc1C
InChIInChI=1S/C22H20FNO3/c1-13-4-5-16(18(8-13)22(25)26)10-15-9-14(2)21(24-12-15)19-11-17(23)6-7-20(19)27-3/h4-9,11-12H,10H2,1-3H3,(H,25,26)
InChIKeyRMTWRIJLULWIPF-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.80
Rot. Bonds5

About 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid

2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid (PubChem CID 58415816) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid
PubChem CID58415816
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid
SMILESCOc1ccc(F)cc1-c1ncc(Cc2ccc(C)cc2C(=O)O)cc1C
InChIInChI=1S/C22H20FNO3/c1-13-4-5-16(18(8-13)22(25)26)10-15-9-14(2)21(24-12-15)19-11-17(23)6-7-20(19)27-3/h4-9,11-12H,10H2,1-3H3,(H,25,26)
InChIKeyRMTWRIJLULWIPF-UHFFFAOYSA-N
XLogP4.80
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid (CID 58415816) is 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid is COc1ccc(F)cc1-c1ncc(Cc2ccc(C)cc2C(=O)O)cc1C.
What is the InChIKey of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid?
The InChIKey is RMTWRIJLULWIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-13-4-5-16(18(8-13)22(25)26)10-15-9-14(2)21(24-12-15)19-11-17(23)6-7-20(19)27-3/h4-9,11-12H,10H2,1-3H3,(H,25,26).
What are the key properties of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid?
2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid has a molecular weight of 365.40 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]methyl]-5-methylbenzoic acid is sourced from PubChem (CID 58415816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).