2-chloro-5-fluoropyrimidine-4-carbonitrile

C5HClFN3 — CID 118393717

IUPAC2-chloro-5-fluoropyrimidine-4-carbonitrile
SMILESN#Cc1nc(Cl)ncc1F
InChIInChI=1S/C5HClFN3/c6-5-9-2-3(7)4(1-8)10-5/h2H
InChIKeyJNCHSFNMCYPZKV-UHFFFAOYSA-N
MW157.54 g/mol
LogP1.14
Rot. Bonds

About 2-chloro-5-fluoropyrimidine-4-carbonitrile

2-chloro-5-fluoropyrimidine-4-carbonitrile (PubChem CID 118393717) has the molecular formula C5HClFN3 and a molecular weight of 157.54 g/mol. Its IUPAC name is 2-chloro-5-fluoropyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoropyrimidine-4-carbonitrile
PubChem CID118393717
Molecular FormulaC5HClFN3
Molecular Weight157.54 g/mol
Exact Mass156.98
IUPAC Name2-chloro-5-fluoropyrimidine-4-carbonitrile
SMILESN#Cc1nc(Cl)ncc1F
InChIInChI=1S/C5HClFN3/c6-5-9-2-3(7)4(1-8)10-5/h2H
InChIKeyJNCHSFNMCYPZKV-UHFFFAOYSA-N
XLogP1.14
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.54
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyrimidine-4-carbonitrile?
The IUPAC name of 2-chloro-5-fluoropyrimidine-4-carbonitrile (CID 118393717) is 2-chloro-5-fluoropyrimidine-4-carbonitrile.
What is the SMILES notation for 2-chloro-5-fluoropyrimidine-4-carbonitrile?
The canonical SMILES for 2-chloro-5-fluoropyrimidine-4-carbonitrile is N#Cc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoropyrimidine-4-carbonitrile?
The InChIKey is JNCHSFNMCYPZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClFN3/c6-5-9-2-3(7)4(1-8)10-5/h2H.
What are the key properties of 2-chloro-5-fluoropyrimidine-4-carbonitrile?
2-chloro-5-fluoropyrimidine-4-carbonitrile has a molecular weight of 157.54 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoropyrimidine-4-carbonitrile is sourced from PubChem (CID 118393717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).