2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid

C22H20FNO3 — CID 110161831

IUPAC2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
SMILESCCCOc1ccccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FNO3/c1-2-13-27-21-6-4-3-5-17(21)19-12-11-18(22(25)26)20(24-19)14-15-7-9-16(23)10-8-15/h3-12H,2,13-14H2,1H3,(H,25,26)
InChIKeyGSOLBVKETVUKGJ-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.97
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid

2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 110161831) has the molecular formula C22H20FNO3 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
PubChem CID110161831
Molecular FormulaC22H20FNO3
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
SMILESCCCOc1ccccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H20FNO3/c1-2-13-27-21-6-4-3-5-17(21)19-12-11-18(22(25)26)20(24-19)14-15-7-9-16(23)10-8-15/h3-12H,2,13-14H2,1H3,(H,25,26)
InChIKeyGSOLBVKETVUKGJ-UHFFFAOYSA-N
XLogP4.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
CID 110161842
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
6-(2-ethoxyphenyl)-3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 22548883
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
1-(4-fluorophenyl)-2-[[5-(2-propoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 22333102
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid (CID 110161831) is 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid is CCCOc1ccccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is GSOLBVKETVUKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO3/c1-2-13-27-21-6-4-3-5-17(21)19-12-11-18(22(25)26)20(24-19)14-15-7-9-16(23)10-8-15/h3-12H,2,13-14H2,1H3,(H,25,26).
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 365.40 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 110161831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).