5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid

C11H7ClN2O2S — CID 115491247

IUPAC5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc(Cl)cn2)cn1
InChIInChI=1S/C11H7ClN2O2S/c12-7-1-4-10(14-5-7)17-8-2-3-9(11(15)16)13-6-8/h1-6H,(H,15,16)
InChIKeyLSBLJQINNOXRFI-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.98
Rot. Bonds3

About 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid

5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid (PubChem CID 115491247) has the molecular formula C11H7ClN2O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
PubChem CID115491247
Molecular FormulaC11H7ClN2O2S
Molecular Weight266.71 g/mol
Exact Mass265.99
IUPAC Name5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc(Cl)cn2)cn1
InChIInChI=1S/C11H7ClN2O2S/c12-7-1-4-10(14-5-7)17-8-2-3-9(11(15)16)13-6-8/h1-6H,(H,15,16)
InChIKeyLSBLJQINNOXRFI-UHFFFAOYSA-N
XLogP2.98
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid (CID 115491247) is 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(Sc2ccc(Cl)cn2)cn1.
What is the InChIKey of 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is LSBLJQINNOXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S/c12-7-1-4-10(14-5-7)17-8-2-3-9(11(15)16)13-6-8/h1-6H,(H,15,16).
What are the key properties of 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid?
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid has a molecular weight of 266.71 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 115491247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).