[(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate

C9H10BrN3O2 — CID 146627110

IUPAC[(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate
SMILESO=C(ONc1ccc(Br)nc1)N1CCC1
InChIInChI=1S/C9H10BrN3O2/c10-8-3-2-7(6-11-8)12-15-9(14)13-4-1-5-13/h2-3,6,12H,1,4-5H2
InChIKeyFZVFIESWMXFMSW-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.01
Rot. Bonds2

About [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate

[(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate (PubChem CID 146627110) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate.

Molecular Properties

Compound Name[(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate
PubChem CID146627110
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name[(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate
SMILESO=C(ONc1ccc(Br)nc1)N1CCC1
InChIInChI=1S/C9H10BrN3O2/c10-8-3-2-7(6-11-8)12-15-9(14)13-4-1-5-13/h2-3,6,12H,1,4-5H2
InChIKeyFZVFIESWMXFMSW-UHFFFAOYSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide
CID 103813939
1-(azepan-1-yl)-2-[(6-bromo-3-pyridinyl)oxy]ethanone
CID 71853625
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
N-(6-bromo-3-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 103789447
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
N-(6-bromo-3-pyridinyl)-2,2-dimethoxyacetamide
CID 164646765
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
butane;ethane;methyl N-(6-bromo-3-pyridinyl)carbamate
CID 155739077
2-[4-(6-bromopyridine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 66462658
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-(6-bromo-3-pyridinyl)-2-pyrazol-1-ylacetamide
CID 103789408
N-(6-bromo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 110605088

Frequently Asked Questions

What is the IUPAC name of [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate?
The IUPAC name of [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate (CID 146627110) is [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate.
What is the SMILES notation for [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate?
The canonical SMILES for [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate is O=C(ONc1ccc(Br)nc1)N1CCC1.
What is the InChIKey of [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate?
The InChIKey is FZVFIESWMXFMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-8-3-2-7(6-11-8)12-15-9(14)13-4-1-5-13/h2-3,6,12H,1,4-5H2.
What are the key properties of [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate?
[(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate has a molecular weight of 272.10 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-bromo-3-pyridinyl)amino] azetidine-1-carboxylate is sourced from PubChem (CID 146627110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).