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

C9H11F2N3O2 — CID 134684328

IUPACmethyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(N)c(N)c(C(F)F)n1
InChIInChI=1S/C9H11F2N3O2/c1-16-6(15)3-4-2-5(12)7(13)8(14-4)9(10)11/h2,9H,3,13H2,1H3,(H2,12,14)
InChIKeyDGJGCUKQYQZVHM-UHFFFAOYSA-N
MW231.20 g/mol
LogP0.90
Rot. Bonds3

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

methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134684328) has the molecular formula C9H11F2N3O2 and a molecular weight of 231.20 g/mol. Its IUPAC name is methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134684328
Molecular FormulaC9H11F2N3O2
Molecular Weight231.20 g/mol
Exact Mass231.08
IUPAC Namemethyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(N)c(N)c(C(F)F)n1
InChIInChI=1S/C9H11F2N3O2/c1-16-6(15)3-4-2-5(12)7(13)8(14-4)9(10)11/h2,9H,3,13H2,1H3,(H2,12,14)
InChIKeyDGJGCUKQYQZVHM-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-[5-amino-4-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133088393
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250
methyl 2-[5-amino-6-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134684597
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
CID 133102106
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134675626
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
methyl 2-[6-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671583
methyl 2-(6-amino-4-cyano-2-pyridinyl)acetate
CID 130777632

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate (CID 134684328) is methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(N)c(N)c(C(F)F)n1.
What is the InChIKey of methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is DGJGCUKQYQZVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O2/c1-16-6(15)3-4-2-5(12)7(13)8(14-4)9(10)11/h2,9H,3,13H2,1H3,(H2,12,14).
What are the key properties of methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[4,5-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-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134684328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).