5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid

C16H10ClNO2S — CID 114920104

IUPAC5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2ccc3ccccc3c2)ncc1Cl
InChIInChI=1S/C16H10ClNO2S/c17-14-9-18-15(8-13(14)16(19)20)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,19,20)
InChIKeyDDNIEGQTUKMICL-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.74
Rot. Bonds3

About 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid

5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid (PubChem CID 114920104) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
PubChem CID114920104
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Sc2ccc3ccccc3c2)ncc1Cl
InChIInChI=1S/C16H10ClNO2S/c17-14-9-18-15(8-13(14)16(19)20)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,19,20)
InChIKeyDDNIEGQTUKMICL-UHFFFAOYSA-N
XLogP4.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(1H-indol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920158
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920125
3-naphthalen-2-ylsulfanylisoquinoline
CID 132603220
5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920118
5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid
CID 43519129
2-chloro-5-quinazolin-2-ylsulfanylbenzoic acid
CID 114788767
3-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid
CID 114289004
4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
CID 61277554
5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
2-methyl-4-naphthalen-2-ylsulfanylbenzoic acid
CID 81285230
5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920084
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid (CID 114920104) is 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid is O=C(O)c1cc(Sc2ccc3ccccc3c2)ncc1Cl.
What is the InChIKey of 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
The InChIKey is DDNIEGQTUKMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-14-9-18-15(8-13(14)16(19)20)21-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,(H,19,20).
What are the key properties of 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid?
5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid has a molecular weight of 315.78 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-naphthalen-2-ylsulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 114920104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).