4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide

C7H4BrF2N3O3 — CID 118811757

IUPAC4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide
SMILESNC(=O)c1cc(Br)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C7H4BrF2N3O3/c8-2-1-3(6(11)14)12-7(13(15)16)4(2)5(9)10/h1,5H,(H2,11,14)
InChIKeyXTNAADUWHLBRRH-UHFFFAOYSA-N
MW296.03 g/mol
LogP1.79
Rot. Bonds3

About 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide

4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide (PubChem CID 118811757) has the molecular formula C7H4BrF2N3O3 and a molecular weight of 296.03 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide
PubChem CID118811757
Molecular FormulaC7H4BrF2N3O3
Molecular Weight296.03 g/mol
Exact Mass294.94
IUPAC Name4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide
SMILESNC(=O)c1cc(Br)c(C(F)F)c([N+](=O)[O-])n1
InChIInChI=1S/C7H4BrF2N3O3/c8-2-1-3(6(11)14)12-7(13(15)16)4(2)5(9)10/h1,5H,(H2,11,14)
InChIKeyXTNAADUWHLBRRH-UHFFFAOYSA-N
XLogP1.79
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.03
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 118834583
3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
CID 133098937
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
6-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 119015693
6-bromo-3-(difluoromethyl)-4-fluoro-2-nitropyridine
CID 130109415
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
5-bromo-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130101837
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
6-amino-3-(difluoromethyl)-2-nitropyridine-4-sulfonamide
CID 134676922
5-bromo-3-chloro-4-(difluoromethyl)-2-nitropyridine
CID 130107993
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide (CID 118811757) is 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide is NC(=O)c1cc(Br)c(C(F)F)c([N+](=O)[O-])n1.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide?
The InChIKey is XTNAADUWHLBRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N3O3/c8-2-1-3(6(11)14)12-7(13(15)16)4(2)5(9)10/h1,5H,(H2,11,14).
What are the key properties of 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide?
4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide has a molecular weight of 296.03 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-6-nitropyridine-2-carboxamide is sourced from PubChem (CID 118811757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).