2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile

C9H7ClF2N2 — CID 118855296

IUPAC2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(CCl)c1C(F)F
InChIInChI=1S/C9H7ClF2N2/c10-5-7-8(9(11)12)6(1-3-13)2-4-14-7/h2,4,9H,1,5H2
InChIKeyZSFGYNWNMOYLGC-UHFFFAOYSA-N
MW216.62 g/mol
LogP2.82
Rot. Bonds3

About 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile

2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 118855296) has the molecular formula C9H7ClF2N2 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID118855296
Molecular FormulaC9H7ClF2N2
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(CCl)c1C(F)F
InChIInChI=1S/C9H7ClF2N2/c10-5-7-8(9(11)12)6(1-3-13)2-4-14-7/h2,4,9H,1,5H2
InChIKeyZSFGYNWNMOYLGC-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

4-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095951
2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbaldehyde
CID 118849586
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
2-[5-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107479
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 118826826
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
2-[4-bromo-6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070557
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 130090379
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile (CID 118855296) is 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(CCl)c1C(F)F.
What is the InChIKey of 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is ZSFGYNWNMOYLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2/c10-5-7-8(9(11)12)6(1-3-13)2-4-14-7/h2,4,9H,1,5H2.
What are the key properties of 2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile?
2-[2-(chloromethyl)-3-(difluoromethyl)-4-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-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 118855296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).