6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide

C11H13BrN2O2 — CID 103881191

IUPAC6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cccc(Br)n1
InChIInChI=1S/C11H13BrN2O2/c12-9-4-1-3-8(13-9)10(16)14-11(7-15)5-2-6-11/h1,3-4,15H,2,5-7H2,(H,14,16)
InChIKeyRTLTUXOMPRZFBK-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.49
Rot. Bonds3

About 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide

6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide (PubChem CID 103881191) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
PubChem CID103881191
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1cccc(Br)n1
InChIInChI=1S/C11H13BrN2O2/c12-9-4-1-3-8(13-9)10(16)14-11(7-15)5-2-6-11/h1,3-4,15H,2,5-7H2,(H,14,16)
InChIKeyRTLTUXOMPRZFBK-UHFFFAOYSA-N
XLogP1.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957468
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
ethane;N-[1-(hydroxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
CID 168957527
3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325
3-bromo-N-[1-(hydroxymethyl)cyclobutyl]thiophene-2-carboxamide
CID 115878426
N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180
3,6-dichloro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide
CID 115878600
5-bromo-N-[1-(hydroxymethyl)cyclopentyl]-2-iodobenzamide
CID 62517913
N-[1-(hydroxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 62519593

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide (CID 103881191) is 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide is O=C(NC1(CO)CCC1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
The InChIKey is RTLTUXOMPRZFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-4-1-3-8(13-9)10(16)14-11(7-15)5-2-6-11/h1,3-4,15H,2,5-7H2,(H,14,16).
What are the key properties of 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide?
6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(hydroxymethyl)cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 103881191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).