4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile

C13H9FN2S — CID 63885602

IUPAC4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ccccc2F)ccn1
InChIInChI=1S/C13H9FN2S/c14-12-3-1-2-4-13(12)17-9-10-5-6-16-11(7-10)8-15/h1-7H,9H2
InChIKeyPPOAXOXVEFAERU-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.38
Rot. Bonds3

About 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile

4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile (PubChem CID 63885602) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
PubChem CID63885602
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CSc2ccccc2F)ccn1
InChIInChI=1S/C13H9FN2S/c14-12-3-1-2-4-13(12)17-9-10-5-6-16-11(7-10)8-15/h1-7H,9H2
InChIKeyPPOAXOXVEFAERU-UHFFFAOYSA-N
XLogP3.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(2-fluorophenyl)sulfanylmethyl]pyridine
CID 62046668
4-[(3-amino-2-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79143782
2-fluoro-5-[(2-fluorophenyl)sulfanylmethyl]benzonitrile
CID 103758746
4-[(2-amino-5-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 79142072
4-[[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carbonitrile
CID 63881365
4-[(4-bromophenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884833
4-(1,3-oxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 106922512
4-[(3-amino-2-pyridinyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63881758
4-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carbonitrile
CID 103825985
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63886379
4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63883856
4-[(4-tert-butylphenyl)sulfanylmethyl]pyridine-2-carbonitrile
CID 63884637

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile (CID 63885602) is 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile is N#Cc1cc(CSc2ccccc2F)ccn1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile?
The InChIKey is PPOAXOXVEFAERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-12-3-1-2-4-13(12)17-9-10-5-6-16-11(7-10)8-15/h1-7H,9H2.
What are the key properties of 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile?
4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfanylmethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).