5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid

C16H10ClNO2S — CID 43519129

IUPAC5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Sc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H10ClNO2S/c17-14-8-12(16(19)20)9-18-15(14)21-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,19,20)
InChIKeyZZDLBCQKHQEDOO-UHFFFAOYSA-N
MW315.78 g/mol
LogP4.74
Rot. Bonds3

About 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid

5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid (PubChem CID 43519129) has the molecular formula C16H10ClNO2S and a molecular weight of 315.78 g/mol. Its IUPAC name is 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid
PubChem CID43519129
Molecular FormulaC16H10ClNO2S
Molecular Weight315.78 g/mol
Exact Mass315.01
IUPAC Name5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Sc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C16H10ClNO2S/c17-14-8-12(16(19)20)9-18-15(14)21-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,19,20)
InChIKeyZZDLBCQKHQEDOO-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

2-[(4-Chlorophenyl)sulfanyl]pyridine-3-carboxylic acid
CID 725043
2-((3,4-Dimethylphenyl)sulfanyl)pyridine-3-carboxylic acid
CID 2454959
3-Pyridinecarboxylic acid, 6-((5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio)-
CID 3025919
2-{[(2-Chlorophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
CID 757412
2-[(2-Chlorophenyl)sulfanyl]pyridine-3-carboxylic acid
CID 2545752
2-(2-Naphthalen-2-yl-2-oxoethyl)sulfanylpyridine-3-carboxylic acid
CID 4262514
2-[(3-Chlorobenzyl)sulfanyl]pyridine-3-carboxylic acid
CID 4136404
2-(4-Methylphenyl)sulfanylpyridine-3-carboxylic acid;hydrochloride
CID 15945441
2-[2-(4-Chlorophenyl)-2-oxoethylthio]pyridine-3-carboxylic acid
CID 746135
2-[(2-Chloro-4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4136400
2-(3-Methyl-1,4-dihydro-naphthalen-2-yl-sulfanyl)nicotinic acid
CID 129873836
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 1132630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid (CID 43519129) is 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid is O=C(O)c1cnc(Sc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid?
The InChIKey is ZZDLBCQKHQEDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2S/c17-14-8-12(16(19)20)9-18-15(14)21-13-6-5-10-3-1-2-4-11(10)7-13/h1-9H,(H,19,20).
What are the key properties of 5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid?
5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-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-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 43519129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).