methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate

C9H7F4NO2 — CID 134661750

IUPACmethyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(F)c(C(F)F)c1F
InChIInChI=1S/C9H7F4NO2/c1-16-5(15)2-4-3-14-9(13)6(7(4)10)8(11)12/h3,8H,2H2,1H3
InChIKeyWHUYGNGOCRUTIG-UHFFFAOYSA-N
MW237.15 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate

methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate (PubChem CID 134661750) has the molecular formula C9H7F4NO2 and a molecular weight of 237.15 g/mol. Its IUPAC name is methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
PubChem CID134661750
Molecular FormulaC9H7F4NO2
Molecular Weight237.15 g/mol
Exact Mass237.04
IUPAC Namemethyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(F)c(C(F)F)c1F
InChIInChI=1S/C9H7F4NO2/c1-16-5(15)2-4-3-14-9(13)6(7(4)10)8(11)12/h3,8H,2H2,1H3
InChIKeyWHUYGNGOCRUTIG-UHFFFAOYSA-N
XLogP2.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[6-(chloromethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104098
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133103864
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
methyl 2-[3-(difluoromethyl)-4-fluoro-5-methoxy-2-pyridinyl]acetate
CID 133105586
methyl 2-[5-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134669289
methyl 2-[6-bromo-4-chloro-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134673608
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
methyl 2-[3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133091158

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate (CID 134661750) is methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate is COC(=O)Cc1cnc(F)c(C(F)F)c1F.
What is the InChIKey of methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate?
The InChIKey is WHUYGNGOCRUTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO2/c1-16-5(15)2-4-3-14-9(13)6(7(4)10)8(11)12/h3,8H,2H2,1H3.
What are the key properties of methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate?
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate has a molecular weight of 237.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate is sourced from PubChem (CID 134661750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).