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

C19H16FNO4S — CID 71711649

IUPAC2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C19H16FNO4S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)17-6-5-15(10-21-17)26(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChIKeyBUJJZKPLHCGSFJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.38
Rot. Bonds4

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

2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid (PubChem CID 71711649) has the molecular formula C19H16FNO4S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid
PubChem CID71711649
Molecular FormulaC19H16FNO4S
Molecular Weight373.41 g/mol
Exact Mass373.08
IUPAC Name2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid
SMILESCc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C19H16FNO4S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)17-6-5-15(10-21-17)26(2,24)25/h3-7,9-10H,8H2,1-2H3,(H,22,23)
InChIKeyBUJJZKPLHCGSFJ-UHFFFAOYSA-N
XLogP3.38
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid (CID 71711649) is 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid is Cc1c(CC(=O)O)cc2ccc(F)cc2c1-c1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid?
The InChIKey is BUJJZKPLHCGSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO4S/c1-11-13(8-18(22)23)7-12-3-4-14(20)9-16(12)19(11)17-6-5-15(10-21-17)26(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)naphthalen-2-yl]acetic acid?
2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-methyl-4-(5-methylsulfonyl-2-pyridinyl)naphthalen-2-yl]acetic acid is sourced from PubChem (CID 71711649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).