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

C9H9F3N2O2 — CID 134675966

IUPACethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)c(C(F)F)c1F
InChIInChI=1S/C9H9F3N2O2/c1-2-16-9(15)7-6(10)5(8(11)12)4(13)3-14-7/h3,8H,2,13H2,1H3
InChIKeyILLOQYCQMJVSKN-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.92
Rot. Bonds3

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

ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate (PubChem CID 134675966) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
PubChem CID134675966
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Nameethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(N)c(C(F)F)c1F
InChIInChI=1S/C9H9F3N2O2/c1-2-16-9(15)7-6(10)5(8(11)12)4(13)3-14-7/h3,8H,2,13H2,1H3
InChIKeyILLOQYCQMJVSKN-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 133103881
ethyl 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carboxylate
CID 133105445
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 133103884
ethyl 3-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxylate
CID 134678035
ethyl 3-amino-5-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 134673817
ethyl 4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carboxylate
CID 133103341
ethyl 5-chloro-4-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134675024
ethyl 4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxylate
CID 133102055
ethyl 3-bromo-5-(bromomethyl)-4-(difluoromethyl)pyridine-2-carboxylate
CID 134662507
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
CID 134684567
ethyl 5-(bromomethyl)-3-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 133100568

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The IUPAC name of ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate (CID 134675966) is ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate is CCOC(=O)c1ncc(N)c(C(F)F)c1F.
What is the InChIKey of ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
The InChIKey is ILLOQYCQMJVSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-2-16-9(15)7-6(10)5(8(11)12)4(13)3-14-7/h3,8H,2,13H2,1H3.
What are the key properties of ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate?
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate has a molecular weight of 234.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate is sourced from PubChem (CID 134675966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).