2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile

C19H14FN3S — CID 931521

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccnc2)c(C#N)c(SCc2cccc(F)c2)n1
InChIInChI=1S/C19H14FN3S/c1-13-8-17(15-5-3-7-22-11-15)18(10-21)19(23-13)24-12-14-4-2-6-16(20)9-14/h2-9,11H,12H2,1H3
InChIKeyRMRHNGGKWOPAEI-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.76
Rot. Bonds4

About 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile

2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 931521) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID931521
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCc1cc(-c2cccnc2)c(C#N)c(SCc2cccc(F)c2)n1
InChIInChI=1S/C19H14FN3S/c1-13-8-17(15-5-3-7-22-11-15)18(10-21)19(23-13)24-12-14-4-2-6-16(20)9-14/h2-9,11H,12H2,1H3
InChIKeyRMRHNGGKWOPAEI-UHFFFAOYSA-N
XLogP4.76
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile (CID 931521) is 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile is Cc1cc(-c2cccnc2)c(C#N)c(SCc2cccc(F)c2)n1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is RMRHNGGKWOPAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c1-13-8-17(15-5-3-7-22-11-15)18(10-21)19(23-13)24-12-14-4-2-6-16(20)9-14/h2-9,11H,12H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile?
2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-6-methyl-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 931521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).