2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid

C12H7N3O2S — CID 64588756

IUPAC2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
SMILESN#Cc1cccc(Sc2ncccc2C(=O)O)n1
InChIInChI=1S/C12H7N3O2S/c13-7-8-3-1-5-10(15-8)18-11-9(12(16)17)4-2-6-14-11/h1-6H,(H,16,17)
InChIKeyCBUMQYSURMTJPN-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.20
Rot. Bonds3

About 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid

2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid (PubChem CID 64588756) has the molecular formula C12H7N3O2S and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
PubChem CID64588756
Molecular FormulaC12H7N3O2S
Molecular Weight257.27 g/mol
Exact Mass257.03
IUPAC Name2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
SMILESN#Cc1cccc(Sc2ncccc2C(=O)O)n1
InChIInChI=1S/C12H7N3O2S/c13-7-8-3-1-5-10(15-8)18-11-9(12(16)17)4-2-6-14-11/h1-6H,(H,16,17)
InChIKeyCBUMQYSURMTJPN-UHFFFAOYSA-N
XLogP2.20
TPSA86.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanopyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 107548795
2-pyridazin-3-ylsulfanylpyridine-3-carboxylic acid
CID 62482824
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 64588955
6-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 64589155
2-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridine-3-carboxylic acid
CID 60732308
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-(trisulfanyl)pyridine-3-carboxylic acid
CID 129081855
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315
2-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 103470136
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
2-(3,6-dimethylpyrazin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 65416667
6-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carbonitrile
CID 64593835

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid (CID 64588756) is 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid is N#Cc1cccc(Sc2ncccc2C(=O)O)n1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The InChIKey is CBUMQYSURMTJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O2S/c13-7-8-3-1-5-10(15-8)18-11-9(12(16)17)4-2-6-14-11/h1-6H,(H,16,17).
What are the key properties of 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 64588756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).