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

C15H9BrClN3O — CID 102979115

IUPACN-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1ccc2ccccc2n1
InChIInChI=1S/C15H9BrClN3O/c16-10-7-13(14(17)18-8-10)20-15(21)12-6-5-9-3-1-2-4-11(9)19-12/h1-8H,(H,20,21)
InChIKeyLZIJDFHQVXNFPK-UHFFFAOYSA-N
MW362.61 g/mol
LogP4.30
Rot. Bonds2

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

N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide (PubChem CID 102979115) has the molecular formula C15H9BrClN3O and a molecular weight of 362.61 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
PubChem CID102979115
Molecular FormulaC15H9BrClN3O
Molecular Weight362.61 g/mol
Exact Mass360.96
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1ccc2ccccc2n1
InChIInChI=1S/C15H9BrClN3O/c16-10-7-13(14(17)18-8-10)20-15(21)12-6-5-9-3-1-2-4-11(9)19-12/h1-8H,(H,20,21)
InChIKeyLZIJDFHQVXNFPK-UHFFFAOYSA-N
XLogP4.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 54.30
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

N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-(4-bromophenyl)quinoline-2-carboxamide
CID 5112006
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide (CID 102979115) is N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide is O=C(Nc1cc(Br)cnc1Cl)c1ccc2ccccc2n1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide?
The InChIKey is LZIJDFHQVXNFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O/c16-10-7-13(14(17)18-8-10)20-15(21)12-6-5-9-3-1-2-4-11(9)19-12/h1-8H,(H,20,21).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide has a molecular weight of 362.61 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide is sourced from PubChem (CID 102979115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).