5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid

C12H8Cl2N2O2S — CID 112736320

IUPAC5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2S/c13-6-3-7(14)5-8(4-6)19-11-9(15)1-2-10(16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyOIXQDHZNCWVSKW-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.82
Rot. Bonds3

About 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid

5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid (PubChem CID 112736320) has the molecular formula C12H8Cl2N2O2S and a molecular weight of 315.18 g/mol. Its IUPAC name is 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid
PubChem CID112736320
Molecular FormulaC12H8Cl2N2O2S
Molecular Weight315.18 g/mol
Exact Mass313.97
IUPAC Name5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Sc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2S/c13-6-3-7(14)5-8(4-6)19-11-9(15)1-2-10(16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyOIXQDHZNCWVSKW-UHFFFAOYSA-N
XLogP3.82
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridine-2-carboxylic acid
CID 114409313
5-amino-6-(oxetan-3-ylsulfanyl)pyridine-2-carboxylic acid
CID 114409759
5-amino-6-[2-(dimethylamino)ethylsulfanyl]pyridine-2-carboxylic acid
CID 114409789
5-amino-6-(2,3-dihydroxypropylsulfanyl)pyridine-2-carboxylic acid
CID 114409765
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
6,8-dichloroquinoline-2-carboxylic acid
CID 82243861
5-amino-6-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboxylic acid
CID 114409611
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
4-[(3,5-dichlorophenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 112736376
6-(3-amino-2,6-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 67208142
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid (CID 112736320) is 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Sc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid?
The InChIKey is OIXQDHZNCWVSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2S/c13-6-3-7(14)5-8(4-6)19-11-9(15)1-2-10(16-11)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid?
5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid has a molecular weight of 315.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3,5-dichlorophenyl)sulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 112736320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).