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

C7H2ClF3N2 — CID 118845275

IUPAC4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)cc(Cl)c1C(F)F
InChIInChI=1S/C7H2ClF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H
InChIKeyGOEIEQOFKUONCG-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.68
Rot. Bonds1

About 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile

4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile (PubChem CID 118845275) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
PubChem CID118845275
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)cc(Cl)c1C(F)F
InChIInChI=1S/C7H2ClF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H
InChIKeyGOEIEQOFKUONCG-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-nitropyridine-2-carbonitrile
CID 118845280
2-cyano-3-(difluoromethyl)-6-fluoropyridine-4-sulfonamide
CID 118993918
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
4-chloro-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119006404
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160
5-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 130070958
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile (CID 118845275) is 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile is N#Cc1nc(F)cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The InChIKey is GOEIEQOFKUONCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-3-1-5(9)13-4(2-12)6(3)7(10)11/h1,7H.
What are the key properties of 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
4-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 4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 118845275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).