methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate

C9H10F2N2O2 — CID 134673231

IUPACmethyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(N)c1C(F)F
InChIInChI=1S/C9H10F2N2O2/c1-15-7(14)2-5-3-13-4-6(12)8(5)9(10)11/h3-4,9H,2,12H2,1H3
InChIKeyHZOHFRXADTZRHF-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.32
Rot. Bonds3

About methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134673231) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134673231
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Namemethyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cncc(N)c1C(F)F
InChIInChI=1S/C9H10F2N2O2/c1-15-7(14)2-5-3-13-4-6(12)8(5)9(10)11/h3-4,9H,2,12H2,1H3
InChIKeyHZOHFRXADTZRHF-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134671472
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
methyl 2-[3-amino-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098272
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134673522
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate (CID 134673231) is methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cncc(N)c1C(F)F.
What is the InChIKey of methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is HZOHFRXADTZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-15-7(14)2-5-3-13-4-6(12)8(5)9(10)11/h3-4,9H,2,12H2,1H3.
What are the key properties of methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 216.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134673231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).