2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile

C8H4ClF3N2 — CID 130071857

IUPAC2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)F)cc(Cl)nc1F
InChIInChI=1S/C8H4ClF3N2/c9-6-3-5(7(10)11)4(1-2-13)8(12)14-6/h3,7H,1H2
InChIKeyAXUNOYULKYCKSR-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.88
Rot. Bonds2

About 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile

2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile (PubChem CID 130071857) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
PubChem CID130071857
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)F)cc(Cl)nc1F
InChIInChI=1S/C8H4ClF3N2/c9-6-3-5(7(10)11)4(1-2-13)8(12)14-6/h3,7H,1H2
InChIKeyAXUNOYULKYCKSR-UHFFFAOYSA-N
XLogP2.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.58
LogP ≤ 52.88
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-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
3,6-dichloro-4-(difluoromethyl)-2-fluoropyridine
CID 130099205
6-chloro-4-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102458
2-[4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
2-[4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075176
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118815641
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075599

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile (CID 130071857) is 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile is N#CCc1c(C(F)F)cc(Cl)nc1F.
What is the InChIKey of 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is AXUNOYULKYCKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-6-3-5(7(10)11)4(1-2-13)8(12)14-6/h3,7H,1H2.
What are the key properties of 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile?
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 130071857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).