4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide

C7H4BrF2IN2O — CID 118806222

IUPAC4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide
SMILESNC(=O)c1cnc(C(F)F)c(I)c1Br
InChIInChI=1S/C7H4BrF2IN2O/c8-3-2(7(12)14)1-13-5(4(3)11)6(9)10/h1,6H,(H2,12,14)
InChIKeyUEJZPSOVGNQQGJ-UHFFFAOYSA-N
MW376.93 g/mol
LogP2.49
Rot. Bonds2

About 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide

4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide (PubChem CID 118806222) has the molecular formula C7H4BrF2IN2O and a molecular weight of 376.93 g/mol. Its IUPAC name is 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide
PubChem CID118806222
Molecular FormulaC7H4BrF2IN2O
Molecular Weight376.93 g/mol
Exact Mass375.85
IUPAC Name4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide
SMILESNC(=O)c1cnc(C(F)F)c(I)c1Br
InChIInChI=1S/C7H4BrF2IN2O/c8-3-2(7(12)14)1-13-5(4(3)11)6(9)10/h1,6H,(H2,12,14)
InChIKeyUEJZPSOVGNQQGJ-UHFFFAOYSA-N
XLogP2.49
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.49
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

6-(difluoromethyl)-5-iodo-4-methoxypyridine-3-carboxamide
CID 118854435
2-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118837602
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
6-(difluoromethyl)-5-hydroxy-4-methylpyridine-3-carboxamide
CID 130084161
2-[5-bromo-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 130068482
2-(difluoromethyl)-3-iodo-5-nitropyridine-4-carboxamide
CID 118820528
4-bromo-6-(difluoromethyl)pyridine-3-carboxamide
CID 118851035
4-cyano-6-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 118849836
5-(bromomethyl)-6-(difluoromethyl)-4-iodopyridine-3-carboxylic acid
CID 130087220
6-cyano-4-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118995518
methyl 5-bromo-2-(difluoromethyl)-3-iodopyridine-4-carboxylate
CID 134684442
4-(difluoromethyl)-5-iodo-6-methoxypyridine-3-carboxamide
CID 118846499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide?
The IUPAC name of 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide (CID 118806222) is 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide?
The canonical SMILES for 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide is NC(=O)c1cnc(C(F)F)c(I)c1Br.
What is the InChIKey of 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide?
The InChIKey is UEJZPSOVGNQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2IN2O/c8-3-2(7(12)14)1-13-5(4(3)11)6(9)10/h1,6H,(H2,12,14).
What are the key properties of 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide?
4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(difluoromethyl)-5-iodopyridine-3-carboxamide is sourced from PubChem (CID 118806222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).