5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid

C20H22FNO3 — CID 121447085

IUPAC5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(-c2cccnc2OCC2CC2)cc1F
InChIInChI=1S/C20H22FNO3/c21-18-12-16(10-9-15(18)4-1-2-6-19(23)24)17-5-3-11-22-20(17)25-13-14-7-8-14/h3,5,9-12,14H,1-2,4,6-8,13H2,(H,23,24)
InChIKeyKIQQJXDABUFINB-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.47
Rot. Bonds9

About 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid

5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid (PubChem CID 121447085) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid
PubChem CID121447085
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid
SMILESO=C(O)CCCCc1ccc(-c2cccnc2OCC2CC2)cc1F
InChIInChI=1S/C20H22FNO3/c21-18-12-16(10-9-15(18)4-1-2-6-19(23)24)17-5-3-11-22-20(17)25-13-14-7-8-14/h3,5,9-12,14H,1-2,4,6-8,13H2,(H,23,24)
InChIKeyKIQQJXDABUFINB-UHFFFAOYSA-N
XLogP4.47
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid?
The IUPAC name of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid (CID 121447085) is 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid.
What is the SMILES notation for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid?
The canonical SMILES for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid is O=C(O)CCCCc1ccc(-c2cccnc2OCC2CC2)cc1F.
What is the InChIKey of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid?
The InChIKey is KIQQJXDABUFINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-18-12-16(10-9-15(18)4-1-2-6-19(23)24)17-5-3-11-22-20(17)25-13-14-7-8-14/h3,5,9-12,14H,1-2,4,6-8,13H2,(H,23,24).
What are the key properties of 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid?
5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid has a molecular weight of 343.40 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(cyclopropylmethoxy)-3-pyridinyl]-2-fluorophenyl]pentanoic acid is sourced from PubChem (CID 121447085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).