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

C7H2ClF3N2 — CID 130070896

IUPAC3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)cc(C(F)F)c1Cl
InChIInChI=1S/C7H2ClF3N2/c8-6-3(7(10)11)1-5(9)13-4(6)2-12/h1,7H
InChIKeyXXAZFIKRJLFNSI-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.68
Rot. Bonds1

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

3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile (PubChem CID 130070896) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
PubChem CID130070896
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
SMILESN#Cc1nc(F)cc(C(F)F)c1Cl
InChIInChI=1S/C7H2ClF3N2/c8-6-3(7(10)11)1-5(9)13-4(6)2-12/h1,7H
InChIKeyXXAZFIKRJLFNSI-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

5-chloro-6-cyano-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 134662535
4-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 118845275
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 130070918
4-(difluoromethyl)-6-fluoro-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119019491
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
3-chloro-2-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130070902
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
5-chloro-4-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130070992
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The IUPAC name of 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile (CID 130070896) is 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile is N#Cc1nc(F)cc(C(F)F)c1Cl.
What is the InChIKey of 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
The InChIKey is XXAZFIKRJLFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-6-3(7(10)11)1-5(9)13-4(6)2-12/h1,7H.
What are the key properties of 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile?
3-chloro-4-(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 3-chloro-4-(difluoromethyl)-6-fluoropyridine-2-carbonitrile is sourced from PubChem (CID 130070896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).