4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid

C20H15ClFNO5 — CID 66667694

IUPAC4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid
SMILESCOc1cc(Cl)ccc1Oc1cc(F)c(C(=O)O)cc1-c1cccnc1OC
InChIInChI=1S/C20H15ClFNO5/c1-26-18-8-11(21)5-6-16(18)28-17-10-15(22)14(20(24)25)9-13(17)12-4-3-7-23-19(12)27-2/h3-10H,1-2H3,(H,24,25)
InChIKeyTUQPVZTVARKIOT-UHFFFAOYSA-N
MW403.79 g/mol
LogP5.05
Rot. Bonds6

About 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid

4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid (PubChem CID 66667694) has the molecular formula C20H15ClFNO5 and a molecular weight of 403.79 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid
PubChem CID66667694
Molecular FormulaC20H15ClFNO5
Molecular Weight403.79 g/mol
Exact Mass403.06
IUPAC Name4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid
SMILESCOc1cc(Cl)ccc1Oc1cc(F)c(C(=O)O)cc1-c1cccnc1OC
InChIInChI=1S/C20H15ClFNO5/c1-26-18-8-11(21)5-6-16(18)28-17-10-15(22)14(20(24)25)9-13(17)12-4-3-7-23-19(12)27-2/h3-10H,1-2H3,(H,24,25)
InChIKeyTUQPVZTVARKIOT-UHFFFAOYSA-N
XLogP5.05
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.79
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid?
The IUPAC name of 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid (CID 66667694) is 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid is COc1cc(Cl)ccc1Oc1cc(F)c(C(=O)O)cc1-c1cccnc1OC.
What is the InChIKey of 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid?
The InChIKey is TUQPVZTVARKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO5/c1-26-18-8-11(21)5-6-16(18)28-17-10-15(22)14(20(24)25)9-13(17)12-4-3-7-23-19(12)27-2/h3-10H,1-2H3,(H,24,25).
What are the key properties of 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid?
4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid has a molecular weight of 403.79 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenoxy)-2-fluoro-5-(2-methoxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 66667694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).