2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide

C6H7BrN2OS — CID 153363415

IUPAC2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide
SMILESBr.NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2OS.BrH/c7-5(9)4-2-1-3-8-6(4)10;/h1-3H,(H2,7,9)(H,8,10);1H
InChIKeyJNPNCTYQDBKKJZ-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.42
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide

2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide (PubChem CID 153363415) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide
PubChem CID153363415
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide
SMILESBr.NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C6H6N2OS.BrH/c7-5(9)4-2-1-3-8-6(4)10;/h1-3H,(H2,7,9)(H,8,10);1H
InChIKeyJNPNCTYQDBKKJZ-UHFFFAOYSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
N-butyl-2-sulfanyl-pyridine-3-carboxamide
CID 4117619
N-propyl-2-sulfanyl-pyridine-3-carboxamide
CID 6096780
3-Pyridinecarboxaldehyde, 2-mercapto-
CID 817888
2-Mercaptonicotinamide
CID 4143093
1,2-Dihydropyridine-3-carboxamide
CID 5231521
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
CID 45116993
3-Thionicotinyl-urea
CID 91623248
2-sulfanylidene-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 18167685
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
N-ethyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502198
N,N-Dimethyl-2-mercaptonicotinamide
CID 14802390

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide (CID 153363415) is 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide is Br.NC(=O)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide?
The InChIKey is JNPNCTYQDBKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS.BrH/c7-5(9)4-2-1-3-8-6(4)10;/h1-3H,(H2,7,9)(H,8,10);1H.
What are the key properties of 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide?
2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide has a molecular weight of 235.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide is sourced from PubChem (CID 153363415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).