6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile

C9H4ClF5N2O — CID 118804353

IUPAC6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)c(C(F)F)c(CCl)n1
InChIInChI=1S/C9H4ClF5N2O/c10-2-5-7(8(11)12)6(18-9(13,14)15)1-4(3-16)17-5/h1,8H,2H2
InChIKeySWEGSPCOUQQCEJ-UHFFFAOYSA-N
MW286.59 g/mol
LogP3.53
Rot. Bonds3

About 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile

6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 118804353) has the molecular formula C9H4ClF5N2O and a molecular weight of 286.59 g/mol. Its IUPAC name is 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID118804353
Molecular FormulaC9H4ClF5N2O
Molecular Weight286.59 g/mol
Exact Mass285.99
IUPAC Name6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)c(C(F)F)c(CCl)n1
InChIInChI=1S/C9H4ClF5N2O/c10-2-5-7(8(11)12)6(18-9(13,14)15)1-4(3-16)17-5/h1,8H,2H2
InChIKeySWEGSPCOUQQCEJ-UHFFFAOYSA-N
XLogP3.53
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119013383
2-[2-(chloromethyl)-6-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118804263
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-2-carbonitrile
CID 130078046
6-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118838127
2-[6-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134682362
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
2-[6-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670662
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118826916
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131312179
2-[3-(chloromethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665144
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile (CID 118804353) is 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(OC(F)(F)F)c(C(F)F)c(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is SWEGSPCOUQQCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF5N2O/c10-2-5-7(8(11)12)6(18-9(13,14)15)1-4(3-16)17-5/h1,8H,2H2.
What are the key properties of 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 286.59 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 118804353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).