5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile

C7H2ClF3N2 — CID 130070918

IUPAC5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(Cl)cc1C(F)F
InChIInChI=1S/C7H2ClF3N2/c8-4-1-3(6(9)10)5(2-12)13-7(4)11/h1,6H
InChIKeyFPHULWRBPKCGQY-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.68
Rot. Bonds1

About 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile

5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile (PubChem CID 130070918) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
PubChem CID130070918
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)c(Cl)cc1C(F)F
InChIInChI=1S/C7H2ClF3N2/c8-4-1-3(6(9)10)5(2-12)13-7(4)11/h1,6H
InChIKeyFPHULWRBPKCGQY-UHFFFAOYSA-N
XLogP2.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.55
LogP ≤ 52.68
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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Related Compounds

3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
6-chloro-3-(difluoromethyl)-5-methoxypyridine-2-carbonitrile
CID 119010171
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
6-cyano-5-(difluoromethyl)-3-fluoropyridine-2-sulfonyl chloride
CID 130076337
5-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 134675768
6-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118848258
6-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 118843869
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
5-(difluoromethyl)-6-fluoro-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076174
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The IUPAC name of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile (CID 130070918) is 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile is N#Cc1nc(F)c(Cl)cc1C(F)F.
What is the InChIKey of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The InChIKey is FPHULWRBPKCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-4-1-3(6(9)10)5(2-12)13-7(4)11/h1,6H.
What are the key properties of 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile has a molecular weight of 206.55 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 130070918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).