4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile

C13H11N3OS — CID 10377764

IUPAC4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile
SMILESCOc1cc(-c2ccccn2)nc(C#N)c1SC
InChIInChI=1S/C13H11N3OS/c1-17-12-7-10(9-5-3-4-6-15-9)16-11(8-14)13(12)18-2/h3-7H,1-2H3
InChIKeyVIGCSVTZFAZTIX-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.75
Rot. Bonds3

About 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile

4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile (PubChem CID 10377764) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile
PubChem CID10377764
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile
SMILESCOc1cc(-c2ccccn2)nc(C#N)c1SC
InChIInChI=1S/C13H11N3OS/c1-17-12-7-10(9-5-3-4-6-15-9)16-11(8-14)13(12)18-2/h3-7H,1-2H3
InChIKeyVIGCSVTZFAZTIX-UHFFFAOYSA-N
XLogP2.75
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Caerulomycin A
CID 135514797
4,4'-Dimethoxy-2,2'-bipyridyl
CID 2733927
Caeurolomycin A
CID 159917
Caerulomycin
CID 135478684
Caerulomycinonitrile
CID 13586798
Collismycin A
CID 135482271
SF2738C
CID 10084065
(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methanimine
CID 16128661
Collismycin B
CID 135474257
(NE)-N-[(4-methoxy-3-methylsulfinyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 135433651
(NE)-N-[[4-methoxy-6-(4-methyl-2-pyridinyl)-3-methylsulfanyl-2-pyridinyl]methylidene]hydroxylamine
CID 136239493
(NE)-N-[[4-methoxy-6-(6-methyl-2-pyridinyl)-3-methylsulfanyl-2-pyridinyl]methylidene]hydroxylamine
CID 136260468

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile?
The IUPAC name of 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile (CID 10377764) is 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile is COc1cc(-c2ccccn2)nc(C#N)c1SC.
What is the InChIKey of 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile?
The InChIKey is VIGCSVTZFAZTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-12-7-10(9-5-3-4-6-15-9)16-11(8-14)13(12)18-2/h3-7H,1-2H3.
What are the key properties of 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile?
4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile has a molecular weight of 257.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 10377764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).