5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide

C7H4BrF2IN2O — CID 130068606

IUPAC5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
SMILESNC(=O)c1ncc(Br)c(C(F)F)c1I
InChIInChI=1S/C7H4BrF2IN2O/c8-2-1-13-5(7(12)14)4(11)3(2)6(9)10/h1,6H,(H2,12,14)
InChIKeySIANKSKUVOBSRD-UHFFFAOYSA-N
MW376.93 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide

5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide (PubChem CID 130068606) has the molecular formula C7H4BrF2IN2O and a molecular weight of 376.93 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
PubChem CID130068606
Molecular FormulaC7H4BrF2IN2O
Molecular Weight376.93 g/mol
Exact Mass375.85
IUPAC Name5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
SMILESNC(=O)c1ncc(Br)c(C(F)F)c1I
InChIInChI=1S/C7H4BrF2IN2O/c8-2-1-13-5(7(12)14)4(11)3(2)6(9)10/h1,6H,(H2,12,14)
InChIKeySIANKSKUVOBSRD-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

5-amino-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130105795
4-(difluoromethyl)-3-iodo-5-methoxypyridine-2-carboxamide
CID 118835097
3-(difluoromethyl)-4,5-diiodopyridine-2-carboxamide
CID 130100754
2-[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]acetic acid
CID 130068471
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
3-(difluoromethyl)-4,5-difluoropyridine-2-carboxamide
CID 118807178
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
[5-bromo-3-(difluoromethyl)-2-iodo-4-pyridinyl]methanamine
CID 118817949
3-(difluoromethyl)-2,5-diiodopyridine-4-carboxamide
CID 130100748
3-amino-5-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide?
The IUPAC name of 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide (CID 130068606) is 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide is NC(=O)c1ncc(Br)c(C(F)F)c1I.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide?
The InChIKey is SIANKSKUVOBSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2IN2O/c8-2-1-13-5(7(12)14)4(11)3(2)6(9)10/h1,6H,(H2,12,14).
What are the key properties of 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide?
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-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 5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide is sourced from PubChem (CID 130068606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).