2,4-difluoropyrimidine-5-carbonitrile

C5HF2N3 — CID 18981194

IUPAC2,4-difluoropyrimidine-5-carbonitrile
SMILESN#Cc1cnc(F)nc1F
InChIInChI=1S/C5HF2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
InChIKeyAOSHQVWIJNXEMB-UHFFFAOYSA-N
MW141.08 g/mol
LogP0.63
Rot. Bonds

About 2,4-difluoropyrimidine-5-carbonitrile

2,4-difluoropyrimidine-5-carbonitrile (PubChem CID 18981194) has the molecular formula C5HF2N3 and a molecular weight of 141.08 g/mol. Its IUPAC name is 2,4-difluoropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-difluoropyrimidine-5-carbonitrile
PubChem CID18981194
Molecular FormulaC5HF2N3
Molecular Weight141.08 g/mol
Exact Mass141.01
IUPAC Name2,4-difluoropyrimidine-5-carbonitrile
SMILESN#Cc1cnc(F)nc1F
InChIInChI=1S/C5HF2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H
InChIKeyAOSHQVWIJNXEMB-UHFFFAOYSA-N
XLogP0.63
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.08
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoropyrimidine-5-carbonitrile?
The IUPAC name of 2,4-difluoropyrimidine-5-carbonitrile (CID 18981194) is 2,4-difluoropyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-difluoropyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-difluoropyrimidine-5-carbonitrile is N#Cc1cnc(F)nc1F.
What is the InChIKey of 2,4-difluoropyrimidine-5-carbonitrile?
The InChIKey is AOSHQVWIJNXEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF2N3/c6-4-3(1-8)2-9-5(7)10-4/h2H.
What are the key properties of 2,4-difluoropyrimidine-5-carbonitrile?
2,4-difluoropyrimidine-5-carbonitrile has a molecular weight of 141.08 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoropyrimidine-5-carbonitrile is sourced from PubChem (CID 18981194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).