2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid

C9H8F2INO3 — CID 118839763

IUPAC2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(CC(=O)O)c(C(F)F)c1I
InChIInChI=1S/C9H8F2INO3/c1-16-9-7(12)6(8(10)11)4(3-13-9)2-5(14)15/h3,8H,2H2,1H3,(H,14,15)
InChIKeyPIEWHOAUYAOEFE-UHFFFAOYSA-N
MW343.07 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid

2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid (PubChem CID 118839763) has the molecular formula C9H8F2INO3 and a molecular weight of 343.07 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
PubChem CID118839763
Molecular FormulaC9H8F2INO3
Molecular Weight343.07 g/mol
Exact Mass342.95
IUPAC Name2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(CC(=O)O)c(C(F)F)c1I
InChIInChI=1S/C9H8F2INO3/c1-16-9-7(12)6(8(10)11)4(3-13-9)2-5(14)15/h3,8H,2H2,1H3,(H,14,15)
InChIKeyPIEWHOAUYAOEFE-UHFFFAOYSA-N
XLogP2.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.07
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
4-(difluoromethyl)-5-iodo-6-methoxypyridine-3-carboxamide
CID 118846499
4-(difluoromethyl)-5-iodo-6-methoxypyridin-3-ol
CID 118824019
2-[5-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 133101298
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134663537
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
5-(difluoromethyl)-4-iodo-2-methoxypyridine-3-carboxylic acid
CID 130085798

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid (CID 118839763) is 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid is COc1ncc(CC(=O)O)c(C(F)F)c1I.
What is the InChIKey of 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid?
The InChIKey is PIEWHOAUYAOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO3/c1-16-9-7(12)6(8(10)11)4(3-13-9)2-5(14)15/h3,8H,2H2,1H3,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid has a molecular weight of 343.07 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 118839763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).