2-(2-fluoropyrimidin-4-yl)acetonitrile

C6H4FN3 — CID 130909769

IUPAC2-(2-fluoropyrimidin-4-yl)acetonitrile
SMILESN#CCc1ccnc(F)n1
InChIInChI=1S/C6H4FN3/c7-6-9-4-2-5(10-6)1-3-8/h2,4H,1H2
InChIKeyBQLCEROTDBBDOY-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.68
Rot. Bonds1

About 2-(2-fluoropyrimidin-4-yl)acetonitrile

2-(2-fluoropyrimidin-4-yl)acetonitrile (PubChem CID 130909769) has the molecular formula C6H4FN3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 2-(2-fluoropyrimidin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoropyrimidin-4-yl)acetonitrile
PubChem CID130909769
Molecular FormulaC6H4FN3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name2-(2-fluoropyrimidin-4-yl)acetonitrile
SMILESN#CCc1ccnc(F)n1
InChIInChI=1S/C6H4FN3/c7-6-9-4-2-5(10-6)1-3-8/h2,4H,1H2
InChIKeyBQLCEROTDBBDOY-UHFFFAOYSA-N
XLogP0.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-pyridinyl)acetonitrile
CID 12812206
2-[6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetonitrile
CID 118814844
2-pyrimidin-4-ylacetonitrile
CID 14169572
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
2-(5-fluoro-6-methoxy-2-pyridinyl)acetonitrile
CID 84765026
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
CID 89407865
CID 89407865
2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 143015963
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-(5-methyl-2-pyridinyl)acetonitrile
CID 583430
2-[6-amino-5-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]acetonitrile
CID 133086539

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropyrimidin-4-yl)acetonitrile?
The IUPAC name of 2-(2-fluoropyrimidin-4-yl)acetonitrile (CID 130909769) is 2-(2-fluoropyrimidin-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-fluoropyrimidin-4-yl)acetonitrile?
The canonical SMILES for 2-(2-fluoropyrimidin-4-yl)acetonitrile is N#CCc1ccnc(F)n1.
What is the InChIKey of 2-(2-fluoropyrimidin-4-yl)acetonitrile?
The InChIKey is BQLCEROTDBBDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FN3/c7-6-9-4-2-5(10-6)1-3-8/h2,4H,1H2.
What are the key properties of 2-(2-fluoropyrimidin-4-yl)acetonitrile?
2-(2-fluoropyrimidin-4-yl)acetonitrile has a molecular weight of 137.12 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropyrimidin-4-yl)acetonitrile is sourced from PubChem (CID 130909769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).