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

C8H5ClF2INO2 — CID 130073442

IUPAC2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(I)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c9-5-2-4(12)3(1-6(14)15)7(13-5)8(10)11/h2,8H,1H2,(H,14,15)
InChIKeySYRFCODTDYEBPJ-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.90
Rot. Bonds3

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

2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid (PubChem CID 130073442) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
PubChem CID130073442
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Name2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1c(I)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c9-5-2-4(12)3(1-6(14)15)7(13-5)8(10)11/h2,8H,1H2,(H,14,15)
InChIKeySYRFCODTDYEBPJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[5-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130087657
6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075642
2-[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]acetic acid
CID 130100706
2-[6-(chloromethyl)-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetic acid
CID 130087649
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
2-[2-bromo-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetic acid
CID 118998027
5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130073352
2-[6-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetic acid
CID 118820391
2-[4-(chloromethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106535
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
6-chloro-2-(difluoromethyl)-4-iodo-3-(trifluoromethyl)pyridine
CID 130073209

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid (CID 130073442) is 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid is O=C(O)Cc1c(I)cc(Cl)nc1C(F)F.
What is the InChIKey of 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid?
The InChIKey is SYRFCODTDYEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c9-5-2-4(12)3(1-6(14)15)7(13-5)8(10)11/h2,8H,1H2,(H,14,15).
What are the key properties of 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid?
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid has a molecular weight of 347.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid is sourced from PubChem (CID 130073442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).