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

C7H3BrF2INO2 — CID 119010704

IUPAC2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)ncc(I)c1C(F)F
InChIInChI=1S/C7H3BrF2INO2/c8-5-4(7(13)14)3(6(9)10)2(11)1-12-5/h1,6H,(H,13,14)
InChIKeyTZKVCOYIMHHMDA-UHFFFAOYSA-N
MW377.91 g/mol
LogP3.08
Rot. Bonds2

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

2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (PubChem CID 119010704) has the molecular formula C7H3BrF2INO2 and a molecular weight of 377.91 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
PubChem CID119010704
Molecular FormulaC7H3BrF2INO2
Molecular Weight377.91 g/mol
Exact Mass376.84
IUPAC Name2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)ncc(I)c1C(F)F
InChIInChI=1S/C7H3BrF2INO2/c8-5-4(7(13)14)3(6(9)10)2(11)1-12-5/h1,6H,(H,13,14)
InChIKeyTZKVCOYIMHHMDA-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.91
LogP ≤ 53.08
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-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
2-(difluoromethyl)-3-fluoro-5-iodopyridine-4-carboxylic acid
CID 118837172
5-(aminomethyl)-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130070168
2-bromo-3-(difluoromethyl)-4-fluoro-5-iodopyridine
CID 119010566
4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
CID 130100748
3-(difluoromethyl)-5-hydroxy-2-iodopyridine-4-carboxylic acid
CID 130082872
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid (CID 119010704) is 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is O=C(O)c1c(Br)ncc(I)c1C(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
The InChIKey is TZKVCOYIMHHMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2INO2/c8-5-4(7(13)14)3(6(9)10)2(11)1-12-5/h1,6H,(H,13,14).
What are the key properties of 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid?
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid has a molecular weight of 377.91 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid is sourced from PubChem (CID 119010704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).