2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide

C12H6Br2F2N2O — CID 103842464

IUPAC2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cccnc1Br
InChIInChI=1S/C12H6Br2F2N2O/c13-7-4-9(16)10(5-8(7)15)18-12(19)6-2-1-3-17-11(6)14/h1-5H,(H,18,19)
InChIKeyCQUNLFJJDCGECQ-UHFFFAOYSA-N
MW392.00 g/mol
LogP4.14
Rot. Bonds2

About 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide

2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide (PubChem CID 103842464) has the molecular formula C12H6Br2F2N2O and a molecular weight of 392.00 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
PubChem CID103842464
Molecular FormulaC12H6Br2F2N2O
Molecular Weight392.00 g/mol
Exact Mass389.88
IUPAC Name2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)c1cccnc1Br
InChIInChI=1S/C12H6Br2F2N2O/c13-7-4-9(16)10(5-8(7)15)18-12(19)6-2-1-3-17-11(6)14/h1-5H,(H,18,19)
InChIKeyCQUNLFJJDCGECQ-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.00
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107616528
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
N-(5-bromo-4-fluoro-2-methylphenyl)-2-chloropyridine-3-carboxamide
CID 103274583
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
5-bromo-N-(4-bromo-2,5-difluorophenyl)-2-hydroxybenzamide
CID 107729675

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide (CID 103842464) is 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide is O=C(Nc1cc(F)c(Br)cc1F)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
The InChIKey is CQUNLFJJDCGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2F2N2O/c13-7-4-9(16)10(5-8(7)15)18-12(19)6-2-1-3-17-11(6)14/h1-5H,(H,18,19).
What are the key properties of 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide?
2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide has a molecular weight of 392.00 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103842464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).