2-isocyano-3-methylsulfanylpyridine

C7H6N2S — CID 23383667

IUPAC2-isocyano-3-methylsulfanylpyridine
SMILES[C-]#[N+]c1ncccc1SC
InChIInChI=1S/C7H6N2S/c1-8-7-6(10-2)4-3-5-9-7/h3-5H,2H3
InChIKeyDIKZUMDKEKUOGR-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.35
Rot. Bonds1

About 2-isocyano-3-methylsulfanylpyridine

2-isocyano-3-methylsulfanylpyridine (PubChem CID 23383667) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2-isocyano-3-methylsulfanylpyridine.

Molecular Properties

Compound Name2-isocyano-3-methylsulfanylpyridine
PubChem CID23383667
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2-isocyano-3-methylsulfanylpyridine
SMILES[C-]#[N+]c1ncccc1SC
InChIInChI=1S/C7H6N2S/c1-8-7-6(10-2)4-3-5-9-7/h3-5H,2H3
InChIKeyDIKZUMDKEKUOGR-UHFFFAOYSA-N
XLogP2.35
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
ethane;3-methylsulfanylpyridin-2-amine
CID 142810881
2-methyl-3-methylsulfanylpyridine;propane
CID 142465096
3-methylsulfanyl-2-methylsulfonylpyridine
CID 23436875
3-methylsulfanyl-2-nitropyridine
CID 130771705
2-(3-methylsulfanyl-2-pyridinyl)acetonitrile
CID 14273134
2-(4-chlorophenyl)-3-methylsulfanylpyridine
CID 19850805
4-methylsulfanyl-1,5-naphthyridine
CID 12705267
2-ethyl-3-isocyanopyridine
CID 157404495
2-(4-chlorophenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850804
6-fluoro-8-methylsulfanylquinoline
CID 170900378
N-[(2-methyl-3-pyridinyl)sulfanyl]methanamine
CID 143294917

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-3-methylsulfanylpyridine?
The IUPAC name of 2-isocyano-3-methylsulfanylpyridine (CID 23383667) is 2-isocyano-3-methylsulfanylpyridine.
What is the SMILES notation for 2-isocyano-3-methylsulfanylpyridine?
The canonical SMILES for 2-isocyano-3-methylsulfanylpyridine is [C-]#[N+]c1ncccc1SC.
What is the InChIKey of 2-isocyano-3-methylsulfanylpyridine?
The InChIKey is DIKZUMDKEKUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-8-7-6(10-2)4-3-5-9-7/h3-5H,2H3.
What are the key properties of 2-isocyano-3-methylsulfanylpyridine?
2-isocyano-3-methylsulfanylpyridine has a molecular weight of 150.21 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-3-methylsulfanylpyridine is sourced from PubChem (CID 23383667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).