3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid

C16H11NO2S — CID 114289004

IUPAC3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H11NO2S/c18-16(19)14-7-8-17-10-15(14)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19)
InChIKeyVKKQCNMHHTVEMX-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.08
Rot. Bonds3

About 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid

3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid (PubChem CID 114289004) has the molecular formula C16H11NO2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
PubChem CID114289004
Molecular FormulaC16H11NO2S
Molecular Weight281.34 g/mol
Exact Mass281.05
IUPAC Name3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H11NO2S/c18-16(19)14-7-8-17-10-15(14)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19)
InChIKeyVKKQCNMHHTVEMX-UHFFFAOYSA-N
XLogP4.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
The IUPAC name of 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid (CID 114289004) is 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid is O=C(O)c1ccncc1Sc1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
The InChIKey is VKKQCNMHHTVEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2S/c18-16(19)14-7-8-17-10-15(14)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19).
What are the key properties of 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid has a molecular weight of 281.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 114289004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).