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

C10H9F2N3O2 — CID 133087324

IUPACmethyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(N)c(C(F)F)c1C#N
InChIInChI=1S/C10H9F2N3O2/c1-17-8(16)2-7-5(3-13)9(10(11)12)6(14)4-15-7/h4,10H,2,14H2,1H3
InChIKeyYQPYQEBRUSRWSY-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.19
Rot. Bonds3

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

methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 133087324) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID133087324
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(N)c(C(F)F)c1C#N
InChIInChI=1S/C10H9F2N3O2/c1-17-8(16)2-7-5(3-13)9(10(11)12)6(14)4-15-7/h4,10H,2,14H2,1H3
InChIKeyYQPYQEBRUSRWSY-UHFFFAOYSA-N
XLogP1.19
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-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-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[5-chloro-4-cyano-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134674119
ethyl 2-[3-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134685984
methyl 2-[5-amino-3-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134669740
methyl 2-[4-amino-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134676457
methyl 2-[5-cyano-3-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134664036
methyl 2-[5-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686064
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[4-(aminomethyl)-3-cyano-2-(difluoromethyl)phenyl]acetate
CID 134658093
methyl 2-[4-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686507
methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134676492

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate (CID 133087324) is methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1ncc(N)c(C(F)F)c1C#N.
What is the InChIKey of methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is YQPYQEBRUSRWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-17-8(16)2-7-5(3-13)9(10(11)12)6(14)4-15-7/h4,10H,2,14H2,1H3.
What are the key properties of methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 241.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133087324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).