N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide

C11H6BrCl2N3O — CID 102610051

IUPACN-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
SMILESO=C(Nc1cccnc1Br)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-10-8(2-1-3-15-10)17-11(18)6-4-9(14)16-5-7(6)13/h1-5H,(H,17,18)
InChIKeyXYRUGFADTRQBNO-UHFFFAOYSA-N
MW347.00 g/mol
LogP3.80
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide

N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide (PubChem CID 102610051) has the molecular formula C11H6BrCl2N3O and a molecular weight of 347.00 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
PubChem CID102610051
Molecular FormulaC11H6BrCl2N3O
Molecular Weight347.00 g/mol
Exact Mass344.91
IUPAC NameN-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
SMILESO=C(Nc1cccnc1Br)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H6BrCl2N3O/c12-10-8(2-1-3-15-10)17-11(18)6-4-9(14)16-5-7(6)13/h1-5H,(H,17,18)
InChIKeyXYRUGFADTRQBNO-UHFFFAOYSA-N
XLogP3.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.00
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-bromo-3-pyridinyl)-2-chloropyridine-4-carboxamide
CID 114089631
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
2-amino-5-chloro-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923980
2-amino-N-(2-bromo-3-pyridinyl)-5-fluorobenzamide
CID 114051392
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
CID 103819240
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide (CID 102610051) is N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide is O=C(Nc1cccnc1Br)c1cc(Cl)ncc1Cl.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide?
The InChIKey is XYRUGFADTRQBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O/c12-10-8(2-1-3-15-10)17-11(18)6-4-9(14)16-5-7(6)13/h1-5H,(H,17,18).
What are the key properties of N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide?
N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide has a molecular weight of 347.00 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide is sourced from PubChem (CID 102610051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).