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

C7H2ClF3N2 — CID 130070893

IUPAC6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(C(F)F)c1F
InChIInChI=1S/C7H2ClF3N2/c8-5-1-3(7(10)11)6(9)4(2-12)13-5/h1,7H
InChIKeyDBFDJRRJFIAODM-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.68
Rot. Bonds1

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

6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile (PubChem CID 130070893) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
PubChem CID130070893
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)cc(C(F)F)c1F
InChIInChI=1S/C7H2ClF3N2/c8-5-1-3(7(10)11)6(9)4(2-12)13-5/h1,7H
InChIKeyDBFDJRRJFIAODM-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

6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
6-chloro-4-(difluoromethyl)-3-nitropyridine-2-carbonitrile
CID 130071072
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070896
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
4-(bromomethyl)-6-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071160

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The IUPAC name of 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile (CID 130070893) is 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile is N#Cc1nc(Cl)cc(C(F)F)c1F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
The InChIKey is DBFDJRRJFIAODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-5-1-3(7(10)11)6(9)4(2-12)13-5/h1,7H.
What are the key properties of 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile?
6-chloro-4-(difluoromethyl)-3-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 6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 130070893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).