ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate

C10H13F2N3O2 — CID 134671707

IUPACethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(N)c(C(F)F)c1N
InChIInChI=1S/C10H13F2N3O2/c1-2-17-6(16)3-5-4-15-10(14)7(8(5)13)9(11)12/h4,9H,2-3H2,1H3,(H4,13,14,15)
InChIKeyFMZQWPGXUPMBPW-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.29
Rot. Bonds4

About ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate

ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134671707) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134671707
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Nameethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(N)c(C(F)F)c1N
InChIInChI=1S/C10H13F2N3O2/c1-2-17-6(16)3-5-4-15-10(14)7(8(5)13)9(11)12/h4,9H,2-3H2,1H3,(H4,13,14,15)
InChIKeyFMZQWPGXUPMBPW-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-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134673268
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669265
ethyl 2-[2-amino-3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 134663948
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322
ethyl 2-[4-amino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134672783
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[4-(bromomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetate
CID 133104106
ethyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100614

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate (CID 134671707) is ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(N)c(C(F)F)c1N.
What is the InChIKey of ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is FMZQWPGXUPMBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-2-17-6(16)3-5-4-15-10(14)7(8(5)13)9(11)12/h4,9H,2-3H2,1H3,(H4,13,14,15).
What are the key properties of ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-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-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134671707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).