2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid

C10H6ClN3O2S — CID 61299738

IUPAC2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H6ClN3O2S/c11-7-1-2-8(14-13-7)17-9-5-6(10(15)16)3-4-12-9/h1-5H,(H,15,16)
InChIKeyNFEUNOZDUTWOFA-UHFFFAOYSA-N
MW267.70 g/mol
LogP2.37
Rot. Bonds3

About 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid

2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid (PubChem CID 61299738) has the molecular formula C10H6ClN3O2S and a molecular weight of 267.70 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
PubChem CID61299738
Molecular FormulaC10H6ClN3O2S
Molecular Weight267.70 g/mol
Exact Mass266.99
IUPAC Name2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Sc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H6ClN3O2S/c11-7-1-2-8(14-13-7)17-9-5-6(10(15)16)3-4-12-9/h1-5H,(H,15,16)
InChIKeyNFEUNOZDUTWOFA-UHFFFAOYSA-N
XLogP2.37
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 106972467
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726439
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248
2-(3-chloro-2-cyanophenyl)sulfanylpyridine-4-carboxylic acid
CID 55078992
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
2-[(6-cyano-2-pyridinyl)sulfanyl]pyridine-4-carboxylic acid
CID 64588955
2-[(E)-3-chloroprop-2-enyl]sulfanylpyridine-4-carboxylic acid
CID 82238192
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779261
2-(2-hydroxyethylsulfanyl)pyridine-4-carboxylic acid
CID 43409604
2-(3-cyanopyrazin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 55104969

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid?
The IUPAC name of 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid (CID 61299738) is 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid is O=C(O)c1ccnc(Sc2ccc(Cl)nn2)c1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid?
The InChIKey is NFEUNOZDUTWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O2S/c11-7-1-2-8(14-13-7)17-9-5-6(10(15)16)3-4-12-9/h1-5H,(H,15,16).
What are the key properties of 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid?
2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid has a molecular weight of 267.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid is sourced from PubChem (CID 61299738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).