2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile

C14H11F2N3S — CID 61370423

IUPAC2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2c(F)cc(N)cc2F)n1
InChIInChI=1S/C14H11F2N3S/c1-7-3-8(2)19-14(10(7)6-17)20-13-11(15)4-9(18)5-12(13)16/h3-5H,18H2,1-2H3
InChIKeyLUGJHKLJTMUJOQ-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.58
Rot. Bonds2

About 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile

2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61370423) has the molecular formula C14H11F2N3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61370423
Molecular FormulaC14H11F2N3S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2c(F)cc(N)cc2F)n1
InChIInChI=1S/C14H11F2N3S/c1-7-3-8(2)19-14(10(7)6-17)20-13-11(15)4-9(18)5-12(13)16/h3-5H,18H2,1-2H3
InChIKeyLUGJHKLJTMUJOQ-UHFFFAOYSA-N
XLogP3.58
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxyphenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 104590981
2-[(4-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 724579
4,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
CID 104603069
2-(4-amino-2,6-difluorophenyl)sulfanyl-6-bromobenzonitrile
CID 114887614
4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 79554315
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 5175428
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2794588
N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 15743749
2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 894238
2-(furan-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658664
2-(3-methoxypropylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 52634411

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CID 61370423) is 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Sc2c(F)cc(N)cc2F)n1.
What is the InChIKey of 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LUGJHKLJTMUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3S/c1-7-3-8(2)19-14(10(7)6-17)20-13-11(15)4-9(18)5-12(13)16/h3-5H,18H2,1-2H3.
What are the key properties of 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 291.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-difluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61370423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).