5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid

C22H18FNO2 — CID 58415843

IUPAC5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Cc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C22H18FNO2/c23-20-4-2-1-3-18(20)21-10-5-14(13-24-21)11-17-9-8-16(15-6-7-15)12-19(17)22(25)26/h1-5,8-10,12-13,15H,6-7,11H2,(H,25,26)
InChIKeyJVEBTAZRIANGCP-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.05
Rot. Bonds5

About 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid

5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid (PubChem CID 58415843) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid
PubChem CID58415843
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Cc1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C22H18FNO2/c23-20-4-2-1-3-18(20)21-10-5-14(13-24-21)11-17-9-8-16(15-6-7-15)12-19(17)22(25)26/h1-5,8-10,12-13,15H,6-7,11H2,(H,25,26)
InChIKeyJVEBTAZRIANGCP-UHFFFAOYSA-N
XLogP5.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid (CID 58415843) is 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Cc1ccc(-c2ccccc2F)nc1.
What is the InChIKey of 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
The InChIKey is JVEBTAZRIANGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c23-20-4-2-1-3-18(20)21-10-5-14(13-24-21)11-17-9-8-16(15-6-7-15)12-19(17)22(25)26/h1-5,8-10,12-13,15H,6-7,11H2,(H,25,26).
What are the key properties of 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid?
5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid has a molecular weight of 347.39 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[6-(2-fluorophenyl)-3-pyridinyl]methyl]benzoic acid is sourced from PubChem (CID 58415843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).