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

C9H7F3INO4 — CID 134675739

IUPAC2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C9H7F3INO4/c1-17-7-4(3-6(15)16)2-5(14-8(7)13)18-9(10,11)12/h2H,3H2,1H3,(H,15,16)
InChIKeyUEBRCPKCZDSXDH-UHFFFAOYSA-N
MW377.06 g/mol
LogP2.22
Rot. Bonds4

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

2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid (PubChem CID 134675739) has the molecular formula C9H7F3INO4 and a molecular weight of 377.06 g/mol. Its IUPAC name is 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
PubChem CID134675739
Molecular FormulaC9H7F3INO4
Molecular Weight377.06 g/mol
Exact Mass376.94
IUPAC Name2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C9H7F3INO4/c1-17-7-4(3-6(15)16)2-5(14-8(7)13)18-9(10,11)12/h2H,3H2,1H3,(H,15,16)
InChIKeyUEBRCPKCZDSXDH-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-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
2-[6-iodo-2-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134664641
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656
2-[2-iodo-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134676198
4-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134665513
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329

Frequently Asked Questions

What is the IUPAC name of 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid (CID 134675739) is 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid is COc1c(CC(=O)O)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The InChIKey is UEBRCPKCZDSXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO4/c1-17-7-4(3-6(15)16)2-5(14-8(7)13)18-9(10,11)12/h2H,3H2,1H3,(H,15,16).
What are the key properties of 2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid?
2-[2-iodo-3-methoxy-6-(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-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134675739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).