4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile

C8H4ClF3N2 — CID 130076160

IUPAC4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(F)c1CCl
InChIInChI=1S/C8H4ClF3N2/c9-1-5-4(2-13)3-14-7(6(5)10)8(11)12/h3,8H,1H2
InChIKeyVPQBJEGVSAVBHP-UHFFFAOYSA-N
MW220.58 g/mol
LogP2.77
Rot. Bonds2

About 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile

4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile (PubChem CID 130076160) has the molecular formula C8H4ClF3N2 and a molecular weight of 220.58 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
PubChem CID130076160
Molecular FormulaC8H4ClF3N2
Molecular Weight220.58 g/mol
Exact Mass220.00
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)F)c(F)c1CCl
InChIInChI=1S/C8H4ClF3N2/c9-1-5-4(2-13)3-14-7(6(5)10)8(11)12/h3,8H,1H2
InChIKeyVPQBJEGVSAVBHP-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
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-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
5-(aminomethyl)-6-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 130076050
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
4-(chloromethyl)-2-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079154
5-bromo-2-(difluoromethyl)-3-fluoropyridine-4-carbonitrile
CID 130108575
4-bromo-5-(bromomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 130108825
6-(difluoromethyl)-4,5-diiodopyridine-3-carbonitrile
CID 130100464
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
2-[4-(aminomethyl)-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetonitrile
CID 118812879
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207
4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)pyridine
CID 130082133

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile (CID 130076160) is 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile is N#Cc1cnc(C(F)F)c(F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile?
The InChIKey is VPQBJEGVSAVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2/c9-1-5-4(2-13)3-14-7(6(5)10)8(11)12/h3,8H,1H2.
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile?
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile has a molecular weight of 220.58 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 130076160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).