5-chloro-2,4,6-trifluoropyridine-3-carbonitrile

C6ClF3N2 — CID 15919021

IUPAC5-chloro-2,4,6-trifluoropyridine-3-carbonitrile
SMILESN#Cc1c(F)nc(F)c(Cl)c1F
InChIInChI=1S/C6ClF3N2/c7-3-4(8)2(1-11)5(9)12-6(3)10
InChIKeyDBPBDHMFXRUKQY-UHFFFAOYSA-N
MW192.53 g/mol
LogP2.02
Rot. Bonds

About 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile

5-chloro-2,4,6-trifluoropyridine-3-carbonitrile (PubChem CID 15919021) has the molecular formula C6ClF3N2 and a molecular weight of 192.53 g/mol. Its IUPAC name is 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-2,4,6-trifluoropyridine-3-carbonitrile
PubChem CID15919021
Molecular FormulaC6ClF3N2
Molecular Weight192.53 g/mol
Exact Mass191.97
IUPAC Name5-chloro-2,4,6-trifluoropyridine-3-carbonitrile
SMILESN#Cc1c(F)nc(F)c(Cl)c1F
InChIInChI=1S/C6ClF3N2/c7-3-4(8)2(1-11)5(9)12-6(3)10
InChIKeyDBPBDHMFXRUKQY-UHFFFAOYSA-N
XLogP2.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.53
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile?
The IUPAC name of 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile (CID 15919021) is 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile is N#Cc1c(F)nc(F)c(Cl)c1F.
What is the InChIKey of 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile?
The InChIKey is DBPBDHMFXRUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF3N2/c7-3-4(8)2(1-11)5(9)12-6(3)10.
What are the key properties of 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile?
5-chloro-2,4,6-trifluoropyridine-3-carbonitrile has a molecular weight of 192.53 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4,6-trifluoropyridine-3-carbonitrile is sourced from PubChem (CID 15919021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).