2-(5-fluoro-3-pyridinyl)acetonitrile

C7H5FN2 — CID 53403707

IUPAC2-(5-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cncc(F)c1
InChIInChI=1S/C7H5FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChIKeyOCVAQFOGIUNAIY-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.29
Rot. Bonds1

About 2-(5-fluoro-3-pyridinyl)acetonitrile

2-(5-fluoro-3-pyridinyl)acetonitrile (PubChem CID 53403707) has the molecular formula C7H5FN2 and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)acetonitrile
PubChem CID53403707
Molecular FormulaC7H5FN2
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name2-(5-fluoro-3-pyridinyl)acetonitrile
SMILESN#CCc1cncc(F)c1
InChIInChI=1S/C7H5FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChIKeyOCVAQFOGIUNAIY-UHFFFAOYSA-N
XLogP1.29
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-Cyanopyridine
CID 79
3-Ethylpyridine
CID 10823
3-Butylpyridine
CID 10874
4-Cyanopyridine
CID 7506
2-(3-Pyridinylmethylene)propanedinitrile
CID 23905
3,5-Dimethylpyridine
CID 11565
3-Propylpyridine
CID 78405
3-Vinylpyridine
CID 14272
4-Propylpyridine
CID 70738

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)acetonitrile (CID 53403707) is 2-(5-fluoro-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)acetonitrile is N#CCc1cncc(F)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)acetonitrile?
The InChIKey is OCVAQFOGIUNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2.
What are the key properties of 2-(5-fluoro-3-pyridinyl)acetonitrile?
2-(5-fluoro-3-pyridinyl)acetonitrile has a molecular weight of 136.13 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)acetonitrile is sourced from PubChem (CID 53403707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).