4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile

C7BrF2N3 — CID 154695950

IUPAC4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile
SMILESN#Cc1c(F)nc(F)c(C#N)c1Br
InChIInChI=1S/C7BrF2N3/c8-5-3(1-11)6(9)13-7(10)4(5)2-12
InChIKeyFOQXZIVPWWVIFA-UHFFFAOYSA-N
MW244.00 g/mol
LogP1.87
Rot. Bonds

About 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile

4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile (PubChem CID 154695950) has the molecular formula C7BrF2N3 and a molecular weight of 244.00 g/mol. Its IUPAC name is 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile
PubChem CID154695950
Molecular FormulaC7BrF2N3
Molecular Weight244.00 g/mol
Exact Mass242.92
IUPAC Name4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile
SMILESN#Cc1c(F)nc(F)c(C#N)c1Br
InChIInChI=1S/C7BrF2N3/c8-5-3(1-11)6(9)13-7(10)4(5)2-12
InChIKeyFOQXZIVPWWVIFA-UHFFFAOYSA-N
XLogP1.87
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.00
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-2,4,6-trifluoropyridine
CID 2778996
2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
CID 12745042
6,7,16,17,26,27-hexafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene-5,8,15,18,25,28-hexacarbonitrile
CID 166870582
3-bromo-2,4,6-trifluorobenzonitrile
CID 117344080
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
2,6-difluoro-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 141497615
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
4,5-diamino-3,6-dibromobenzene-1,2-dicarbonitrile
CID 121374097
4,7-dibromo-2,1,3-benzoselenadiazole-5,6-dicarbonitrile
CID 142291628
3,6-dibromo-2-fluorobenzonitrile
CID 50997948
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 118832955
2-amino-3-bromo-4,6-difluorobenzonitrile
CID 102742071

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile (CID 154695950) is 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile is N#Cc1c(F)nc(F)c(C#N)c1Br.
What is the InChIKey of 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile?
The InChIKey is FOQXZIVPWWVIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7BrF2N3/c8-5-3(1-11)6(9)13-7(10)4(5)2-12.
What are the key properties of 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile?
4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile has a molecular weight of 244.00 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 154695950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).