2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide

C10H11BrN2O2 — CID 103839457

IUPAC2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCOC1)c1cccnc1Br
InChIInChI=1S/C10H11BrN2O2/c11-9-8(2-1-4-12-9)10(14)13-7-3-5-15-6-7/h1-2,4,7H,3,5-6H2,(H,13,14)
InChIKeyKQCLMQUSIMQZHO-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.36
Rot. Bonds2

About 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide

2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide (PubChem CID 103839457) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
PubChem CID103839457
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC Name2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCOC1)c1cccnc1Br
InChIInChI=1S/C10H11BrN2O2/c11-9-8(2-1-4-12-9)10(14)13-7-3-5-15-6-7/h1-2,4,7H,3,5-6H2,(H,13,14)
InChIKeyKQCLMQUSIMQZHO-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
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

2-bromo-N-(2,2-diethyloxan-4-yl)pyridine-3-carboxamide
CID 103868583
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-3-carboxamide
CID 103754728
2-[(2-fluorophenyl)methoxy]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
CID 124850619
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
2-[[(3S)-oxolan-3-yl]amino]pyridine-3-carboxamide
CID 139960156
2-bromo-3-iodo-N-(oxan-4-yl)benzamide
CID 171921430
3-fluoro-2-hydrazinyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 105388506
4-(3-methoxy-2-pyridinyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 126447092
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide (CID 103839457) is 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide is O=C(NC1CCOC1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide?
The InChIKey is KQCLMQUSIMQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c11-9-8(2-1-4-12-9)10(14)13-7-3-5-15-6-7/h1-2,4,7H,3,5-6H2,(H,13,14).
What are the key properties of 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide?
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide has a molecular weight of 271.11 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103839457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).