N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide

C11H10BrClN2O — CID 102979401

IUPACN-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)C1CC=CC1
InChIInChI=1S/C11H10BrClN2O/c12-8-5-9(10(13)14-6-8)15-11(16)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16)
InChIKeyPHNOWUORVWZKAL-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.40
Rot. Bonds2

About N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide

N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide (PubChem CID 102979401) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
PubChem CID102979401
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)C1CC=CC1
InChIInChI=1S/C11H10BrClN2O/c12-8-5-9(10(13)14-6-8)15-11(16)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16)
InChIKeyPHNOWUORVWZKAL-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 102979329
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
3-[(5-bromo-2-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114051902
N-(5-bromo-2-chloro-3-pyridinyl)-2-methyloxolane-3-carboxamide
CID 102979215
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
CID 174663877
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-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 102979480

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide (CID 102979401) is N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide is O=C(Nc1cc(Br)cnc1Cl)C1CC=CC1.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is PHNOWUORVWZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c12-8-5-9(10(13)14-6-8)15-11(16)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 301.57 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 102979401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).