N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide

C10H6BrClN4O — CID 102979160

IUPACN-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1cncnc1
InChIInChI=1S/C10H6BrClN4O/c11-7-1-8(9(12)15-4-7)16-10(17)6-2-13-5-14-3-6/h1-5H,(H,16,17)
InChIKeyBPYXSJBLVTURII-UHFFFAOYSA-N
MW313.54 g/mol
LogP2.54
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 102979160) has the molecular formula C10H6BrClN4O and a molecular weight of 313.54 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
PubChem CID102979160
Molecular FormulaC10H6BrClN4O
Molecular Weight313.54 g/mol
Exact Mass311.94
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1cncnc1
InChIInChI=1S/C10H6BrClN4O/c11-7-1-8(9(12)15-4-7)16-10(17)6-2-13-5-14-3-6/h1-5H,(H,16,17)
InChIKeyBPYXSJBLVTURII-UHFFFAOYSA-N
XLogP2.54
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylsulfonylbenzamide
CID 102979236
N-(5-bromo-2-chloro-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 102979345
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
CID 102979115
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide (CID 102979160) is N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide is O=C(Nc1cc(Br)cnc1Cl)c1cncnc1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is BPYXSJBLVTURII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O/c11-7-1-8(9(12)15-4-7)16-10(17)6-2-13-5-14-3-6/h1-5H,(H,16,17).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 313.54 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102979160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).