2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile

C9H7ClF2N2 — CID 118815641

IUPAC2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)cc(CCl)n1
InChIInChI=1S/C9H7ClF2N2/c10-5-8-4-6(9(11)12)3-7(14-8)1-2-13/h3-4,9H,1,5H2
InChIKeyNUWAKNJWEVRNTA-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.82
Rot. Bonds3

About 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile

2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 118815641) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID118815641
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)cc(CCl)n1
InChIInChI=1S/C9H7ClF2N2/c10-5-8-4-6(9(11)12)3-7(14-8)1-2-13/h3-4,9H,1,5H2
InChIKeyNUWAKNJWEVRNTA-UHFFFAOYSA-N
XLogP2.82
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134672891
6-(chloromethyl)-3-(cyanomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130079037
2-[6-(chloromethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 130090366
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
2-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857
2-[4-bromo-6-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 118805956
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134670584

Frequently Asked Questions

What is the IUPAC name of 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 118815641) is 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)cc(CCl)n1.
What is the InChIKey of 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is NUWAKNJWEVRNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c10-5-8-4-6(9(11)12)3-7(14-8)1-2-13/h3-4,9H,1,5H2.
What are the key properties of 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 216.62 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118815641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).