methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate

C10H12F2N2O3 — CID 134683805

IUPACmethyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(OC)c(N)c1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-16-6(15)3-5-4-14-10(17-2)8(13)7(5)9(11)12/h4,9H,3,13H2,1-2H3
InChIKeyQWYDPTPNESCIMQ-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate

methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate (PubChem CID 134683805) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
PubChem CID134683805
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Namemethyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(OC)c(N)c1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-16-6(15)3-5-4-14-10(17-2)8(13)7(5)9(11)12/h4,9H,3,13H2,1-2H3
InChIKeyQWYDPTPNESCIMQ-UHFFFAOYSA-N
XLogP1.33
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-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-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
methyl 2-[5-amino-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetate
CID 134673946
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134682211
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134671472
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate (CID 134683805) is methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate is COC(=O)Cc1cnc(OC)c(N)c1C(F)F.
What is the InChIKey of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The InChIKey is QWYDPTPNESCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-16-6(15)3-5-4-14-10(17-2)8(13)7(5)9(11)12/h4,9H,3,13H2,1-2H3.
What are the key properties of methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate has a molecular weight of 246.21 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 134683805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).