5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid

C12H8F2N2O2S — CID 81440018

IUPAC5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O2S/c13-8-2-1-7(4-9(8)14)19-11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyGKVDRHWZOZIKMG-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.79
Rot. Bonds3

About 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid

5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid (PubChem CID 81440018) has the molecular formula C12H8F2N2O2S and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
PubChem CID81440018
Molecular FormulaC12H8F2N2O2S
Molecular Weight282.27 g/mol
Exact Mass282.03
IUPAC Name5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O2S/c13-8-2-1-7(4-9(8)14)19-11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyGKVDRHWZOZIKMG-UHFFFAOYSA-N
XLogP2.79
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylic acid
CID 81438970
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
CID 31536570
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid
CID 43519129
6-(3,4-difluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 82119054
6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
CID 43345149
[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
CID 80640130
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-3-carboxylic acid
CID 81445836
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
CID 106748746
6-(4-tert-butylphenyl)sulfanyl-5-chloropyridine-3-carboxylic acid
CID 43153071
2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine
CID 139640007

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid (CID 81440018) is 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
The InChIKey is GKVDRHWZOZIKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2S/c13-8-2-1-7(4-9(8)14)19-11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid?
5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 81440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).