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

C11H10F2N2O3 — CID 134676492

IUPACmethyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(OC)c1C#N
InChIInChI=1S/C11H10F2N2O3/c1-17-9-3-8(11(12)13)15-7(6(9)5-14)4-10(16)18-2/h3,11H,4H2,1-2H3
InChIKeySDFOLQRQNFQHQC-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.61
Rot. Bonds4

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

methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate (PubChem CID 134676492) has the molecular formula C11H10F2N2O3 and a molecular weight of 256.21 g/mol. Its IUPAC name is methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
PubChem CID134676492
Molecular FormulaC11H10F2N2O3
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Namemethyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(OC)c1C#N
InChIInChI=1S/C11H10F2N2O3/c1-17-9-3-8(11(12)13)15-7(6(9)5-14)4-10(16)18-2/h3,11H,4H2,1-2H3
InChIKeySDFOLQRQNFQHQC-UHFFFAOYSA-N
XLogP1.61
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-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-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686434
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
methyl 2-[2-bromo-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetate
CID 171029553
methyl 2-[2-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686057
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
CID 134684404
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141
methyl 2-[5-amino-3-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133087324
ethyl 2-[4-cyano-6-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 133107798
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate (CID 134676492) is methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)cc(OC)c1C#N.
What is the InChIKey of methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate?
The InChIKey is SDFOLQRQNFQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3/c1-17-9-3-8(11(12)13)15-7(6(9)5-14)4-10(16)18-2/h3,11H,4H2,1-2H3.
What are the key properties of methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate?
methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate has a molecular weight of 256.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-cyano-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate is sourced from PubChem (CID 134676492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).