methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate

C10H7F3N2O2 — CID 134675626

IUPACmethyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(F)c(C#N)c(C(F)F)n1
InChIInChI=1S/C10H7F3N2O2/c1-17-8(16)3-5-2-7(11)6(4-14)9(15-5)10(12)13/h2,10H,3H2,1H3
InChIKeyJLCOBJMABFSHIV-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.75
Rot. Bonds3

About methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate

methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate (PubChem CID 134675626) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
PubChem CID134675626
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(F)c(C#N)c(C(F)F)n1
InChIInChI=1S/C10H7F3N2O2/c1-17-8(16)3-5-2-7(11)6(4-14)9(15-5)10(12)13/h2,10H,3H2,1H3
InChIKeyJLCOBJMABFSHIV-UHFFFAOYSA-N
XLogP1.75
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-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-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134686464
methyl 2-[4-cyano-5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685052
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328
ethyl 2-[5-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686470
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
methyl 2-[6-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetate
CID 134684522
methyl 2-[4-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686507
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 2-[6-cyano-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 134684119
methyl 2-[6-(difluoromethyl)-4-iodo-5-methoxy-2-pyridinyl]acetate
CID 133102106
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
methyl 2-[5-amino-4-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133088393

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate (CID 134675626) is methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate is COC(=O)Cc1cc(F)c(C#N)c(C(F)F)n1.
What is the InChIKey of methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The InChIKey is JLCOBJMABFSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-8(16)3-5-2-7(11)6(4-14)9(15-5)10(12)13/h2,10H,3H2,1H3.
What are the key properties of methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate has a molecular weight of 244.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-cyano-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 134675626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).