methyl 2-(4,5-difluoro-3-pyridinyl)acetate

C8H7F2NO2 — CID 130779119

IUPACmethyl 2-(4,5-difluoro-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(F)c1F
InChIInChI=1S/C8H7F2NO2/c1-13-7(12)2-5-3-11-4-6(9)8(5)10/h3-4H,2H2,1H3
InChIKeyXHPXEKFOBWFLFA-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.08
Rot. Bonds2

About methyl 2-(4,5-difluoro-3-pyridinyl)acetate

methyl 2-(4,5-difluoro-3-pyridinyl)acetate (PubChem CID 130779119) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is methyl 2-(4,5-difluoro-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-difluoro-3-pyridinyl)acetate
PubChem CID130779119
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Namemethyl 2-(4,5-difluoro-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(F)c1F
InChIInChI=1S/C8H7F2NO2/c1-13-7(12)2-5-3-11-4-6(9)8(5)10/h3-4H,2H2,1H3
InChIKeyXHPXEKFOBWFLFA-UHFFFAOYSA-N
XLogP1.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
CID 131029040
methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134671472
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133103864
methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
CID 130967534
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-difluoro-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(4,5-difluoro-3-pyridinyl)acetate (CID 130779119) is methyl 2-(4,5-difluoro-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4,5-difluoro-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4,5-difluoro-3-pyridinyl)acetate is COC(=O)Cc1cncc(F)c1F.
What is the InChIKey of methyl 2-(4,5-difluoro-3-pyridinyl)acetate?
The InChIKey is XHPXEKFOBWFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-13-7(12)2-5-3-11-4-6(9)8(5)10/h3-4H,2H2,1H3.
What are the key properties of methyl 2-(4,5-difluoro-3-pyridinyl)acetate?
methyl 2-(4,5-difluoro-3-pyridinyl)acetate has a molecular weight of 187.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-difluoro-3-pyridinyl)acetate is sourced from PubChem (CID 130779119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).