4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid

C8H5ClF2INO2 — CID 130087578

IUPAC4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(CCl)c1I
InChIInChI=1S/C8H5ClF2INO2/c9-1-3-4(7(10)11)2-13-6(5(3)12)8(14)15/h2,7H,1H2,(H,14,15)
InChIKeyJDNOEHRIYFPRHY-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.06
Rot. Bonds3

About 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid

4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (PubChem CID 130087578) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
PubChem CID130087578
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)F)c(CCl)c1I
InChIInChI=1S/C8H5ClF2INO2/c9-1-3-4(7(10)11)2-13-6(5(3)12)8(14)15/h2,7H,1H2,(H,14,15)
InChIKeyJDNOEHRIYFPRHY-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
4-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130082328
2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119019336
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carboxylic acid
CID 130087556
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
ethyl 3-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 134684919
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130081955

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid (CID 130087578) is 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is O=C(O)c1ncc(C(F)F)c(CCl)c1I.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
The InChIKey is JDNOEHRIYFPRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c9-1-3-4(7(10)11)2-13-6(5(3)12)8(14)15/h2,7H,1H2,(H,14,15).
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid?
4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid has a molecular weight of 347.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid is sourced from PubChem (CID 130087578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).