2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid

C8H5F3INO3 — CID 130113015

IUPAC2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCc1c(I)ncc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H5F3INO3/c1-3-5(7(14)15)4(2-13-6(3)12)16-8(9,10)11/h2H,1H3,(H,14,15)
InChIKeyUFHOGOQZFDMUMD-UHFFFAOYSA-N
MW347.03 g/mol
LogP2.59
Rot. Bonds2

About 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid

2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 130113015) has the molecular formula C8H5F3INO3 and a molecular weight of 347.03 g/mol. Its IUPAC name is 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID130113015
Molecular FormulaC8H5F3INO3
Molecular Weight347.03 g/mol
Exact Mass346.93
IUPAC Name2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCc1c(I)ncc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H5F3INO3/c1-3-5(7(14)15)4(2-13-6(3)12)16-8(9,10)11/h2H,1H3,(H,14,15)
InChIKeyUFHOGOQZFDMUMD-UHFFFAOYSA-N
XLogP2.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.03
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
methyl 2-iodo-4-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679080
ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134659057
3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134659702
methyl 3-iodo-2-methyl-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134666957
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118811808
ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676743
6-iodo-5-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111106
2-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134672699
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134666372

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 130113015) is 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid is Cc1c(I)ncc(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is UFHOGOQZFDMUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INO3/c1-3-5(7(14)15)4(2-13-6(3)12)16-8(9,10)11/h2H,1H3,(H,14,15).
What are the key properties of 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 347.03 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 130113015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).