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

C9H7F3INO4 — CID 134664641

IUPAC2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
SMILESCOc1nc(I)cc(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H7F3INO4/c1-17-8-7(18-9(10,11)12)4(3-6(15)16)2-5(13)14-8/h2H,3H2,1H3,(H,15,16)
InChIKeyYPARMFBIMTTXKI-UHFFFAOYSA-N
MW377.06 g/mol
LogP2.22
Rot. Bonds4

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

2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid (PubChem CID 134664641) has the molecular formula C9H7F3INO4 and a molecular weight of 377.06 g/mol. Its IUPAC name is 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
PubChem CID134664641
Molecular FormulaC9H7F3INO4
Molecular Weight377.06 g/mol
Exact Mass376.94
IUPAC Name2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
SMILESCOc1nc(I)cc(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H7F3INO4/c1-17-8-7(18-9(10,11)12)4(3-6(15)16)2-5(13)14-8/h2H,3H2,1H3,(H,15,16)
InChIKeyYPARMFBIMTTXKI-UHFFFAOYSA-N
XLogP2.22
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
2-[2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118826870
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
2-[4-(fluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118840435
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
ethyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679760
2-[6-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134659895
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329
2-[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 134664580

Frequently Asked Questions

What is the IUPAC name of 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid (CID 134664641) is 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid is COc1nc(I)cc(CC(=O)O)c1OC(F)(F)F.
What is the InChIKey of 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The InChIKey is YPARMFBIMTTXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO4/c1-17-8-7(18-9(10,11)12)4(3-6(15)16)2-5(13)14-8/h2H,3H2,1H3,(H,15,16).
What are the key properties of 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid has a molecular weight of 377.06 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134664641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).