2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine

C8H4Cl2F5NO — CID 119020474

IUPAC2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine
SMILESFC(F)c1cnc(Cl)c(CCl)c1OC(F)(F)F
InChIInChI=1S/C8H4Cl2F5NO/c9-1-3-5(17-8(13,14)15)4(7(11)12)2-16-6(3)10/h2,7H,1H2
InChIKeyWQFAFMUPRFUZAG-UHFFFAOYSA-N
MW296.02 g/mol
LogP4.31
Rot. Bonds3

About 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine

2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine (PubChem CID 119020474) has the molecular formula C8H4Cl2F5NO and a molecular weight of 296.02 g/mol. Its IUPAC name is 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine
PubChem CID119020474
Molecular FormulaC8H4Cl2F5NO
Molecular Weight296.02 g/mol
Exact Mass294.96
IUPAC Name2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine
SMILESFC(F)c1cnc(Cl)c(CCl)c1OC(F)(F)F
InChIInChI=1S/C8H4Cl2F5NO/c9-1-3-5(17-8(13,14)15)4(7(11)12)2-16-6(3)10/h2,7H,1H2
InChIKeyWQFAFMUPRFUZAG-UHFFFAOYSA-N
XLogP4.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.02
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118855287
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-4-amine
CID 118812417
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-methylpyridine
CID 119006119
2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119019336
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
CID 134659593
[2-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118999909
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
methyl 2-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134668978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine?
The IUPAC name of 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine (CID 119020474) is 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine is FC(F)c1cnc(Cl)c(CCl)c1OC(F)(F)F.
What is the InChIKey of 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine?
The InChIKey is WQFAFMUPRFUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F5NO/c9-1-3-5(17-8(13,14)15)4(7(11)12)2-16-6(3)10/h2,7H,1H2.
What are the key properties of 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine?
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine has a molecular weight of 296.02 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 119020474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).