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

C9H8F2INO2 — CID 130086318

IUPAC2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(I)c(C(F)F)nc1CC(=O)O
InChIInChI=1S/C9H8F2INO2/c1-4-2-5(12)8(9(10)11)13-6(4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyCBKWMNJZWFIBAD-UHFFFAOYSA-N
MW327.07 g/mol
LogP2.56
Rot. Bonds3

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

2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid (PubChem CID 130086318) has the molecular formula C9H8F2INO2 and a molecular weight of 327.07 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
PubChem CID130086318
Molecular FormulaC9H8F2INO2
Molecular Weight327.07 g/mol
Exact Mass326.96
IUPAC Name2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(I)c(C(F)F)nc1CC(=O)O
InChIInChI=1S/C9H8F2INO2/c1-4-2-5(12)8(9(10)11)13-6(4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyCBKWMNJZWFIBAD-UHFFFAOYSA-N
XLogP2.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.07
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 118854250
2-[5-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130087657
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
2-(bromomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 130087218
6-(difluoromethyl)-3-iodo-5-methylpyridine-2-carboxylic acid
CID 118809209
methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[3-amino-5-bromo-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102225

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid (CID 130086318) is 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid is Cc1cc(I)c(C(F)F)nc1CC(=O)O.
What is the InChIKey of 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid?
The InChIKey is CBKWMNJZWFIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2INO2/c1-4-2-5(12)8(9(10)11)13-6(4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15).
What are the key properties of 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid?
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid has a molecular weight of 327.07 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 130086318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).