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

C9H11F2N3O2 — CID 134671704

IUPACmethyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)c(N)cc1N
InChIInChI=1S/C9H11F2N3O2/c1-16-7(15)3-6-4(12)2-5(13)8(14-6)9(10)11/h2,9H,3,12-13H2,1H3
InChIKeyLEUCNVJIBKAARE-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.90
Rot. Bonds3

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

methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134671704) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134671704
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Namemethyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)c(N)cc1N
InChIInChI=1S/C9H11F2N3O2/c1-16-7(15)3-6-4(12)2-5(13)8(14-6)9(10)11/h2,9H,3,12-13H2,1H3
InChIKeyLEUCNVJIBKAARE-UHFFFAOYSA-N
XLogP0.90
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
methyl 2-[3-amino-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134677475
methyl 2-[3-amino-6-bromo-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134669255
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 134683603
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[3-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134673837
methyl 2-[6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100114
methyl 2-[6-amino-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetate
CID 133093457
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate (CID 134671704) is methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)c(N)cc1N.
What is the InChIKey of methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is LEUCNVJIBKAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-16-7(15)3-6-4(12)2-5(13)8(14-6)9(10)11/h2,9H,3,12-13H2,1H3.
What are the key properties of methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 231.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134671704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).