4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide

C8H10N2O2S — CID 43517675

IUPAC4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(SCCO)ccn1
InChIInChI=1S/C8H10N2O2S/c9-8(12)7-5-6(1-2-10-7)13-4-3-11/h1-2,5,11H,3-4H2,(H2,9,12)
InChIKeyAAHGHFMPRJYROJ-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.26
Rot. Bonds4

About 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide

4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide (PubChem CID 43517675) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
PubChem CID43517675
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(SCCO)ccn1
InChIInChI=1S/C8H10N2O2S/c9-8(12)7-5-6(1-2-10-7)13-4-3-11/h1-2,5,11H,3-4H2,(H2,9,12)
InChIKeyAAHGHFMPRJYROJ-UHFFFAOYSA-N
XLogP0.26
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide (CID 43517675) is 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide is NC(=O)c1cc(SCCO)ccn1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
The InChIKey is AAHGHFMPRJYROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8(12)7-5-6(1-2-10-7)13-4-3-11/h1-2,5,11H,3-4H2,(H2,9,12).
What are the key properties of 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 43517675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).