methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate

C16H15BrN6O3 — CID 86663023

IUPACmethyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Br)nc(-c2ccc(N3CCOCC3)nc2)c1N=[N+]=[N-]
InChIInChI=1S/C16H15BrN6O3/c1-25-16(24)11-8-12(17)20-14(15(11)21-22-18)10-2-3-13(19-9-10)23-4-6-26-7-5-23/h2-3,8-9H,4-7H2,1H3
InChIKeyZHPDTPCNLLUJPI-UHFFFAOYSA-N
MW419.24 g/mol
LogP3.47
Rot. Bonds4

About methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate

methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate (PubChem CID 86663023) has the molecular formula C16H15BrN6O3 and a molecular weight of 419.24 g/mol. Its IUPAC name is methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate
PubChem CID86663023
Molecular FormulaC16H15BrN6O3
Molecular Weight419.24 g/mol
Exact Mass418.04
IUPAC Namemethyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Br)nc(-c2ccc(N3CCOCC3)nc2)c1N=[N+]=[N-]
InChIInChI=1S/C16H15BrN6O3/c1-25-16(24)11-8-12(17)20-14(15(11)21-22-18)10-2-3-13(19-9-10)23-4-6-26-7-5-23/h2-3,8-9H,4-7H2,1H3
InChIKeyZHPDTPCNLLUJPI-UHFFFAOYSA-N
XLogP3.47
TPSA113.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 3-azido-6-bromo-2-(4-propan-2-yloxycarbonylphenyl)pyridine-4-carboxylate
CID 86663045
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
CID 59599778
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
morpholin-4-yl-[2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
CID 53145852
N-[(2-methoxy-4-pyridinyl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 18167458
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
4-[5-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]morpholine
CID 154679547
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
2-methoxyethyl 5-hydroxy-2-morpholin-4-yl-1,7-naphthyridine-6-carboxylate
CID 170122877
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
4-(6-azidopyridazin-3-yl)morpholine
CID 100974495

Frequently Asked Questions

What is the IUPAC name of methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate (CID 86663023) is methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate is COC(=O)c1cc(Br)nc(-c2ccc(N3CCOCC3)nc2)c1N=[N+]=[N-].
What is the InChIKey of methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate?
The InChIKey is ZHPDTPCNLLUJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O3/c1-25-16(24)11-8-12(17)20-14(15(11)21-22-18)10-2-3-13(19-9-10)23-4-6-26-7-5-23/h2-3,8-9H,4-7H2,1H3.
What are the key properties of methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate?
methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate has a molecular weight of 419.24 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-azido-6-bromo-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxylate is sourced from PubChem (CID 86663023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).