methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate

C8H7FINO2 — CID 131029040

IUPACmethyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(F)c1I
InChIInChI=1S/C8H7FINO2/c1-13-7(12)2-5-3-11-4-6(9)8(5)10/h3-4H,2H2,1H3
InChIKeyKNIHINMSILEEKH-UHFFFAOYSA-N
MW295.05 g/mol
LogP1.54
Rot. Bonds2

About methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate

methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate (PubChem CID 131029040) has the molecular formula C8H7FINO2 and a molecular weight of 295.05 g/mol. Its IUPAC name is methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
PubChem CID131029040
Molecular FormulaC8H7FINO2
Molecular Weight295.05 g/mol
Exact Mass294.95
IUPAC Namemethyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(F)c1I
InChIInChI=1S/C8H7FINO2/c1-13-7(12)2-5-3-11-4-6(9)8(5)10/h3-4H,2H2,1H3
InChIKeyKNIHINMSILEEKH-UHFFFAOYSA-N
XLogP1.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4,5-difluoro-3-pyridinyl)acetate
CID 130779119
methyl 2-(3-fluoro-5-iodo-4-pyridinyl)acetate
CID 130837858
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134671472
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
methyl 2-[5-amino-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134673231
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660761
methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 133099542
methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 134673333
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 2-[6-(aminomethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679834
methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
CID 130967534

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate (CID 131029040) is methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate is COC(=O)Cc1cncc(F)c1I.
What is the InChIKey of methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate?
The InChIKey is KNIHINMSILEEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FINO2/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-(5-fluoro-4-iodo-3-pyridinyl)acetate?
methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate has a molecular weight of 295.05 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-4-iodo-3-pyridinyl)acetate is sourced from PubChem (CID 131029040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).