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

C8H5ClF2N2 — CID 119010061

IUPAC2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(C(F)F)nc1Cl
InChIInChI=1S/C8H5ClF2N2/c9-7-5(3-4-12)1-2-6(13-7)8(10)11/h1-2,8H,3H2
InChIKeyZPIDGUZIBFYQDF-UHFFFAOYSA-N
MW202.59 g/mol
LogP2.74
Rot. Bonds2

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

2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 119010061) has the molecular formula C8H5ClF2N2 and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID119010061
Molecular FormulaC8H5ClF2N2
Molecular Weight202.59 g/mol
Exact Mass202.01
IUPAC Name2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(C(F)F)nc1Cl
InChIInChI=1S/C8H5ClF2N2/c9-7-5(3-4-12)1-2-6(13-7)8(10)11/h1-2,8H,3H2
InChIKeyZPIDGUZIBFYQDF-UHFFFAOYSA-N
XLogP2.74
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 52.74
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-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119017114
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-[2-chloro-6-(3,5-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 119014344
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
2-[2-chloro-5-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 119024134
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 130074768
2-[5-chloro-2-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130074290
2-[2-(bromomethyl)-6-chloro-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075151

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 119010061) is 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(C(F)F)nc1Cl.
What is the InChIKey of 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is ZPIDGUZIBFYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2/c9-7-5(3-4-12)1-2-6(13-7)8(10)11/h1-2,8H,3H2.
What are the key properties of 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 202.59 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119010061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).