ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate

C9H7ClF3NO2 — CID 134672013

IUPACethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(F)c1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-9(15)5-6(10)4(11)3-14-7(5)8(12)13/h3,8H,2H2,1H3
InChIKeyQGWKDLABUCSWEB-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.99
Rot. Bonds3

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

ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate (PubChem CID 134672013) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
PubChem CID134672013
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Nameethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(F)c1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-2-16-9(15)5-6(10)4(11)3-14-7(5)8(12)13/h3,8H,2H2,1H3
InChIKeyQGWKDLABUCSWEB-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134675027
ethyl 2-[4-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674429
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
ethyl 2-(difluoromethyl)-3,5-dihydroxypyridine-4-carboxylate
CID 133093322

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate (CID 134672013) is ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)ncc(F)c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
The InChIKey is QGWKDLABUCSWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-2-16-9(15)5-6(10)4(11)3-14-7(5)8(12)13/h3,8H,2H2,1H3.
What are the key properties of ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate?
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate has a molecular weight of 253.61 g/mol, XLogP of 2.99, 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-fluoropyridine-3-carboxylate is sourced from PubChem (CID 134672013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).