3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid

C15H11FN4O2S2 — CID 90240998

IUPAC3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid
SMILESCn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(C(=O)O)n1
InChIInChI=1S/C15H11FN4O2S2/c1-20-8-17-19-15(20)24-12-7-6-11(13(18-12)14(21)22)23-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,21,22)
InChIKeyBTGIBEMULONDCN-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.35
Rot. Bonds5

About 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid

3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid (PubChem CID 90240998) has the molecular formula C15H11FN4O2S2 and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid
PubChem CID90240998
Molecular FormulaC15H11FN4O2S2
Molecular Weight362.41 g/mol
Exact Mass362.03
IUPAC Name3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid
SMILESCn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(C(=O)O)n1
InChIInChI=1S/C15H11FN4O2S2/c1-20-8-17-19-15(20)24-12-7-6-11(13(18-12)14(21)22)23-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,21,22)
InChIKeyBTGIBEMULONDCN-UHFFFAOYSA-N
XLogP3.35
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 76902784
ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate;ethyl 2-[[2-[[3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonyl]amino]-1,3-thiazol-5-yl]sulfanyl]acetate;3-(4-methoxyphenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid
CID 157366502
3-(4-fluorophenyl)sulfanyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 11753956
ethyl 2-[2-[[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyridine-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 76901080
3-[4-[(3S)-1-methylpyrrolidin-3-yl]oxyphenyl]sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 25067003
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2515155
N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]sulfanylpyridine-2-carboxamide
CID 25066601
N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide
CID 25066799
3-[4-[2-[(2R)-2-hydroxy-2-methylpyrrolidin-1-yl]ethoxy]phenyl]sulfanyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxamide
CID 25066797
[(Z)-1-[[3-[4-(1-ethylazetidin-3-yl)oxyphenyl]sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carbonyl]amino]-3-(methylamino)prop-2-enylidene]azanium
CID 143825193
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-methyl-1,2,4-triazole
CID 112781675
3-(4-methoxyphenyl)sulfanyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
CID 23092577

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid (CID 90240998) is 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid is Cn1cnnc1Sc1ccc(Sc2ccc(F)cc2)c(C(=O)O)n1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid?
The InChIKey is BTGIBEMULONDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S2/c1-20-8-17-19-15(20)24-12-7-6-11(13(18-12)14(21)22)23-10-4-2-9(16)3-5-10/h2-8H,1H3,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid?
3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90240998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).