N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide

C10H11BrN2O2 — CID 130752406

IUPACN-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
SMILESO=C(Nc1ccnc(Br)c1)C1CCOC1
InChIInChI=1S/C10H11BrN2O2/c11-9-5-8(1-3-12-9)13-10(14)7-2-4-15-6-7/h1,3,5,7H,2,4,6H2,(H,12,13,14)
InChIKeyHBOYCIZHHCWHLS-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.82
Rot. Bonds2

About N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide

N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide (PubChem CID 130752406) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
PubChem CID130752406
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
SMILESO=C(Nc1ccnc(Br)c1)C1CCOC1
InChIInChI=1S/C10H11BrN2O2/c11-9-5-8(1-3-12-9)13-10(14)7-2-4-15-6-7/h1,3,5,7H,2,4,6H2,(H,12,13,14)
InChIKeyHBOYCIZHHCWHLS-UHFFFAOYSA-N
XLogP1.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.82
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-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-[2-[(3R)-oxolan-3-yl]oxy-4-pyridinyl]cyclobutanecarboxamide
CID 97329801
N-(6-bromonaphthalen-2-yl)oxane-3-carboxamide
CID 81004002
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
1-(2-bromo-4-pyridinyl)-3-cyclobutylurea
CID 130682535

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide (CID 130752406) is N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide is O=C(Nc1ccnc(Br)c1)C1CCOC1.
What is the InChIKey of N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide?
The InChIKey is HBOYCIZHHCWHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-5-8(1-3-12-9)13-10(14)7-2-4-15-6-7/h1,3,5,7H,2,4,6H2,(H,12,13,14).
What are the key properties of N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide?
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 130752406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).