2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile

C6H3BrN2S — CID 119024027

IUPAC2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=S)[nH]c1Br
InChIInChI=1S/C6H3BrN2S/c7-6-4(3-8)1-2-5(10)9-6/h1-2H,(H,9,10)
InChIKeyMETQASUQWZCQJW-UHFFFAOYSA-N
MW215.07 g/mol
LogP2.38
Rot. Bonds

About 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile

2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 119024027) has the molecular formula C6H3BrN2S and a molecular weight of 215.07 g/mol. Its IUPAC name is 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID119024027
Molecular FormulaC6H3BrN2S
Molecular Weight215.07 g/mol
Exact Mass213.92
IUPAC Name2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=S)[nH]c1Br
InChIInChI=1S/C6H3BrN2S/c7-6-4(3-8)1-2-5(10)9-6/h1-2H,(H,9,10)
InChIKeyMETQASUQWZCQJW-UHFFFAOYSA-N
XLogP2.38
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.07
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-bromophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63898865
5-bromo-4-sulfanylidene-1H-pyridine-3-carbonitrile
CID 99989640
6-nitro-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 130775373
4-(6-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)benzene-1,2-dicarbonitrile
CID 107791541
6-bromo-1H-pyridine-2-thione
CID 23202277
4-(bromomethyl)benzene-1,2-dicarbonitrile
CID 18779776
4-bromo-2-sulfanylbenzonitrile
CID 70106484
6-(1,1-dimethoxyethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 2745802
7-bromo-2-chloro-3H-benzimidazole-4-carbonitrile
CID 130779161
6-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63897909
5-(2-bromophenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828202
6-(3,4-difluorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 63896257

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile (CID 119024027) is 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1ccc(=S)[nH]c1Br.
What is the InChIKey of 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is METQASUQWZCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S/c7-6-4(3-8)1-2-5(10)9-6/h1-2H,(H,9,10).
What are the key properties of 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile?
2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 215.07 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 119024027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).