4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid

C14H8FN3O2S — CID 80549589

IUPAC4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid
SMILESO=C(O)c1ccc(F)c(Sc2ccc3nccnc3n2)c1
InChIInChI=1S/C14H8FN3O2S/c15-9-2-1-8(14(19)20)7-11(9)21-12-4-3-10-13(18-12)17-6-5-16-10/h1-7H,(H,19,20)
InChIKeyIGAPENJVPRYBHF-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.01
Rot. Bonds3

About 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid

4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid (PubChem CID 80549589) has the molecular formula C14H8FN3O2S and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid
PubChem CID80549589
Molecular FormulaC14H8FN3O2S
Molecular Weight301.30 g/mol
Exact Mass301.03
IUPAC Name4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid
SMILESO=C(O)c1ccc(F)c(Sc2ccc3nccnc3n2)c1
InChIInChI=1S/C14H8FN3O2S/c15-9-2-1-8(14(19)20)7-11(9)21-12-4-3-10-13(18-12)17-6-5-16-10/h1-7H,(H,19,20)
InChIKeyIGAPENJVPRYBHF-UHFFFAOYSA-N
XLogP3.01
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-({[3-(4-methylbenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}methyl)benzoic acid
CID 16011318
2-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]benzoic acid
CID 3261728
4-[[3-[(3-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoic acid
CID 16011316
4-[2-(2,4-Diaminopteridin-6-yl)ethylsulfanyl]benzoic acid
CID 12658994
3-[3-(Propan-2-ylamino)quinoxalin-2-yl]sulfanylbenzoic acid
CID 172435012
4-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)benzoic acid
CID 16227778
4-[[2-[(4-Fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 20887265
4-[[2-[(2-Fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 20887406
4-[[3-[(3-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoate
CID 145917496
3-Ethylsulfanyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]benzoic acid
CID 144690971
2-[3-[1-[(4-Fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid
CID 147441646
4-({[3-(4-fluorobenzyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}methyl)benzoic acid
CID 53213142

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid?
The IUPAC name of 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid (CID 80549589) is 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid.
What is the SMILES notation for 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid?
The canonical SMILES for 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid is O=C(O)c1ccc(F)c(Sc2ccc3nccnc3n2)c1.
What is the InChIKey of 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid?
The InChIKey is IGAPENJVPRYBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O2S/c15-9-2-1-8(14(19)20)7-11(9)21-12-4-3-10-13(18-12)17-6-5-16-10/h1-7H,(H,19,20).
What are the key properties of 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid?
4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid has a molecular weight of 301.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-pyrido[2,3-b]pyrazin-6-ylsulfanylbenzoic acid is sourced from PubChem (CID 80549589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).