2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid

C20H14ClF2NO3 — CID 156856863

IUPAC2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1F
InChIInChI=1S/C20H14ClF2NO3/c21-15-7-6-14(17(23)10-15)11-27-19-3-1-2-18(24-19)13-5-4-12(9-20(25)26)16(22)8-13/h1-8,10H,9,11H2,(H,25,26)
InChIKeyCZTWUAUVYUEITE-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.89
Rot. Bonds6

About 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid

2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid (PubChem CID 156856863) has the molecular formula C20H14ClF2NO3 and a molecular weight of 389.79 g/mol. Its IUPAC name is 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid
PubChem CID156856863
Molecular FormulaC20H14ClF2NO3
Molecular Weight389.79 g/mol
Exact Mass389.06
IUPAC Name2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1F
InChIInChI=1S/C20H14ClF2NO3/c21-15-7-6-14(17(23)10-15)11-27-19-3-1-2-18(24-19)13-5-4-12(9-20(25)26)16(22)8-13/h1-8,10H,9,11H2,(H,25,26)
InChIKeyCZTWUAUVYUEITE-UHFFFAOYSA-N
XLogP4.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid (CID 156856863) is 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid is O=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1F.
What is the InChIKey of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid?
The InChIKey is CZTWUAUVYUEITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2NO3/c21-15-7-6-14(17(23)10-15)11-27-19-3-1-2-18(24-19)13-5-4-12(9-20(25)26)16(22)8-13/h1-8,10H,9,11H2,(H,25,26).
What are the key properties of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid?
2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid has a molecular weight of 389.79 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 156856863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).