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

C20H15ClFNO3 — CID 156856862

IUPAC2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C20H15ClFNO3/c21-16-9-8-15(17(22)11-16)12-26-19-3-1-2-18(23-19)14-6-4-13(5-7-14)10-20(24)25/h1-9,11H,10,12H2,(H,24,25)
InChIKeyYQTPJRIMWVRHBM-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.75
Rot. Bonds6

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

2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid (PubChem CID 156856862) has the molecular formula C20H15ClFNO3 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid
PubChem CID156856862
Molecular FormulaC20H15ClFNO3
Molecular Weight371.80 g/mol
Exact Mass371.07
IUPAC Name2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1
InChIInChI=1S/C20H15ClFNO3/c21-16-9-8-15(17(22)11-16)12-26-19-3-1-2-18(23-19)14-6-4-13(5-7-14)10-20(24)25/h1-9,11H,10,12H2,(H,24,25)
InChIKeyYQTPJRIMWVRHBM-UHFFFAOYSA-N
XLogP4.75
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.75
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]phenyl]acetic acid?
The IUPAC name of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid (CID 156856862) is 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cccc(OCc3ccc(Cl)cc3F)n2)cc1.
What is the InChIKey of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid?
The InChIKey is YQTPJRIMWVRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO3/c21-16-9-8-15(17(22)11-16)12-26-19-3-1-2-18(23-19)14-6-4-13(5-7-14)10-20(24)25/h1-9,11H,10,12H2,(H,24,25).
What are the key properties of 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid?
2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]phenyl]acetic acid has a molecular weight of 371.80 g/mol, XLogP of 4.75, 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]phenyl]acetic acid is sourced from PubChem (CID 156856862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).