ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate

C10H7ClF5NO2 — CID 134675027

IUPACethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H7ClF5NO2/c1-2-19-9(18)5-6(11)4(10(14,15)16)3-17-7(5)8(12)13/h3,8H,2H2,1H3
InChIKeyZDOGOERSFRVIIP-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.87
Rot. Bonds3

About ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate

ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134675027) has the molecular formula C10H7ClF5NO2 and a molecular weight of 303.61 g/mol. Its IUPAC name is ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134675027
Molecular FormulaC10H7ClF5NO2
Molecular Weight303.61 g/mol
Exact Mass303.01
IUPAC Nameethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H7ClF5NO2/c1-2-19-9(18)5-6(11)4(10(14,15)16)3-17-7(5)8(12)13/h3,8H,2H2,1H3
InChIKeyZDOGOERSFRVIIP-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-amino-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 134673697
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 3-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133084611
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322
ethyl 5-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylate
CID 134674227

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate (CID 134675027) is ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)ncc(C(F)(F)F)c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZDOGOERSFRVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO2/c1-2-19-9(18)5-6(11)4(10(14,15)16)3-17-7(5)8(12)13/h3,8H,2H2,1H3.
What are the key properties of ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 303.61 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134675027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).