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

C7H2ClF3N2 — CID 119004602

IUPAC2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1c(F)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H2ClF3N2/c8-6-3(2-12)4(9)1-5(13-6)7(10)11/h1,7H
InChIKeyIBJZWPZAWIYPFE-UHFFFAOYSA-N
MW206.55 g/mol
LogP2.68
Rot. Bonds1

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

2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (PubChem CID 119004602) has the molecular formula C7H2ClF3N2 and a molecular weight of 206.55 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
PubChem CID119004602
Molecular FormulaC7H2ClF3N2
Molecular Weight206.55 g/mol
Exact Mass205.99
IUPAC Name2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
SMILESN#Cc1c(F)cc(C(F)F)nc1Cl
InChIInChI=1S/C7H2ClF3N2/c8-6-3(2-12)4(9)1-5(13-6)7(10)11/h1,7H
InChIKeyIBJZWPZAWIYPFE-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

2-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 118836753
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-carboxamide
CID 119016503
2-chloro-3-cyano-6-(difluoromethyl)pyridine-4-sulfonamide
CID 119017925
4-chloro-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118805015
3-(chloromethyl)-6-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 130076135
6-(difluoromethyl)-4-fluoro-3-iodopyridine-2-carbonitrile
CID 130075909
4-chloro-2-(cyanomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130071242
4-(difluoromethyl)-2,6-difluorobenzonitrile
CID 119018224
4-chloro-3-cyano-6-(difluoromethyl)pyridine-2-sulfonamide
CID 118810649
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile (CID 119004602) is 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is N#Cc1c(F)cc(C(F)F)nc1Cl.
What is the InChIKey of 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
The InChIKey is IBJZWPZAWIYPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2/c8-6-3(2-12)4(9)1-5(13-6)7(10)11/h1,7H.
What are the key properties of 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile?
2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-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 2-chloro-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 119004602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).