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

C10H13F2N3O2 — CID 134684334

IUPACethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)cc(C(F)F)nc1N
InChIInChI=1S/C10H13F2N3O2/c1-2-17-8(16)3-5-6(13)4-7(9(11)12)15-10(5)14/h4,9H,2-3H2,1H3,(H4,13,14,15)
InChIKeyHGPFQYKBTNFEHM-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.29
Rot. Bonds4

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

ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134684334) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134684334
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Nameethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)cc(C(F)F)nc1N
InChIInChI=1S/C10H13F2N3O2/c1-2-17-8(16)3-5-6(13)4-7(9(11)12)15-10(5)14/h4,9H,2-3H2,1H3,(H4,13,14,15)
InChIKeyHGPFQYKBTNFEHM-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-[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134685817
ethyl 2-[4-amino-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683959
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 2-[6-(difluoromethyl)-2-fluoro-4-methoxy-3-pyridinyl]acetate
CID 133105470
methyl 2-[4-amino-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 134683257
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133084760
ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134673268
ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134673422
ethyl 2-[2-(bromomethyl)-3-chloro-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134674555

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate (CID 134684334) is ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1c(N)cc(C(F)F)nc1N.
What is the InChIKey of ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is HGPFQYKBTNFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-2-17-8(16)3-5-6(13)4-7(9(11)12)15-10(5)14/h4,9H,2-3H2,1H3,(H4,13,14,15).
What are the key properties of ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[2,4-diamino-6-(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-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134684334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).