N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide

C13H11ClN2O2S — CID 20969003

IUPACN-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H11ClN2O2S/c1-19-13-9(3-2-6-15-13)12(18)16-10-7-8(14)4-5-11(10)17/h2-7,17H,1H3,(H,16,18)
InChIKeyQXQFDDISDRWSQY-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.41
Rot. Bonds3

About N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 20969003) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
PubChem CID20969003
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H11ClN2O2S/c1-19-13-9(3-2-6-15-13)12(18)16-10-7-8(14)4-5-11(10)17/h2-7,17H,1H3,(H,16,18)
InChIKeyQXQFDDISDRWSQY-UHFFFAOYSA-N
XLogP3.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide (CID 20969003) is N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is QXQFDDISDRWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c1-19-13-9(3-2-6-15-13)12(18)16-10-7-8(14)4-5-11(10)17/h2-7,17H,1H3,(H,16,18).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 294.76 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 20969003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).