5-bromo-N-(2-chloro-4-pyridinyl)pentanamide

C10H12BrClN2O — CID 107910446

IUPAC5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H12BrClN2O/c11-5-2-1-3-10(15)14-8-4-6-13-9(12)7-8/h4,6-7H,1-3,5H2,(H,13,14,15)
InChIKeyYLFKZDUOFXUZOF-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.24
Rot. Bonds5

About 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide

5-bromo-N-(2-chloro-4-pyridinyl)pentanamide (PubChem CID 107910446) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
PubChem CID107910446
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H12BrClN2O/c11-5-2-1-3-10(15)14-8-4-6-13-9(12)7-8/h4,6-7H,1-3,5H2,(H,13,14,15)
InChIKeyYLFKZDUOFXUZOF-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
7-bromo-N-phenylheptanamide
CID 11266084
5-bromo-N-(3,4-dicyanophenyl)pentanamide
CID 114014947
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
CID 107908992
5-bromo-N-(2,4,6-trichlorophenyl)pentanamide
CID 103601704
N-(2-chloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 58398271
4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
5-bromo-N-(3-bromo-4-pyridinyl)pentanamide
CID 107910435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide (CID 107910446) is 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide is O=C(CCCCBr)Nc1ccnc(Cl)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide?
The InChIKey is YLFKZDUOFXUZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c11-5-2-1-3-10(15)14-8-4-6-13-9(12)7-8/h4,6-7H,1-3,5H2,(H,13,14,15).
What are the key properties of 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide?
5-bromo-N-(2-chloro-4-pyridinyl)pentanamide has a molecular weight of 291.58 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-pyridinyl)pentanamide is sourced from PubChem (CID 107910446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).