2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid

C19H16FNO5S — CID 46203913

IUPAC2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1Oc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C19H16FNO5S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)26-17-6-5-15(10-21-17)27(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChIKeyIZBPZTVNRHJADF-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.51
Rot. Bonds5

About 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid

2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid (PubChem CID 46203913) has the molecular formula C19H16FNO5S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid
PubChem CID46203913
Molecular FormulaC19H16FNO5S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Name2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1Oc1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C19H16FNO5S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)26-17-6-5-15(10-21-17)27(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChIKeyIZBPZTVNRHJADF-UHFFFAOYSA-N
XLogP3.51
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid (CID 46203913) is 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(F)cc2c1Oc1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid?
The InChIKey is IZBPZTVNRHJADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)26-17-6-5-15(10-21-17)27(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid?
2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid has a molecular weight of 389.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-methyl-4-[(5-methylsulfonyl-2-pyridinyl)oxy]naphthalen-2-yl]acetic acid is sourced from PubChem (CID 46203913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).