ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate

C10H13F2N3O2 — CID 134673268

IUPACethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)cnc(N)c1C(F)F
InChIInChI=1S/C10H13F2N3O2/c1-2-17-7(16)3-5-6(13)4-15-10(14)8(5)9(11)12/h4,9H,2-3,13H2,1H3,(H2,14,15)
InChIKeyDFGLIGORTIYXBS-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate

ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate (PubChem CID 134673268) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
PubChem CID134673268
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Nameethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)cnc(N)c1C(F)F
InChIInChI=1S/C10H13F2N3O2/c1-2-17-7(16)3-5-6(13)4-15-10(14)8(5)9(11)12/h4,9H,2-3,13H2,1H3,(H2,14,15)
InChIKeyDFGLIGORTIYXBS-UHFFFAOYSA-N
XLogP1.29
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258
ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134683817
ethyl 2-[5-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683897
ethyl 2-[4-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]acetate
CID 133100321
ethyl 2-[5-bromo-4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676313
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684334
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
ethyl 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetate
CID 133105260
ethyl 2-[5-chloro-3-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134673858

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate (CID 134673268) is ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate is CCOC(=O)Cc1c(N)cnc(N)c1C(F)F.
What is the InChIKey of ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate?
The InChIKey is DFGLIGORTIYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-2-17-7(16)3-5-6(13)4-15-10(14)8(5)9(11)12/h4,9H,2-3,13H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate?
ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate has a molecular weight of 245.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 134673268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).