methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol

C32H43BrN6O8 — CID 160944495

About methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol

methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol (PubChem CID 160944495) has the molecular formula C32H43BrN6O8 and a molecular weight of 719.63 g/mol. Its IUPAC name is methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol.

Molecular Properties

• Compound Name: methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol
• PubChem CID: 160944495
• Molecular Formula: C32H43BrN6O8
• Molecular Weight: 719.63 g/mol
• Exact Mass: 718.23
• IUPAC Name: methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol
• SMILES: C1COCCN1.COC(=O)c1cncc(Br)c1.COC(=O)c1cncc(N2CCOCC2)c1.OCc1cncc(N2CCOCC2)c1
• InChI: InChI=1S/C11H14N2O3.C10H14N2O2.C7H6BrNO2.C4H9NO/c1-15-11(14)9-6-10(8-12-7-9)13-2-4-16-5-3-13;13-8-9-5-10(7-11-6-9)12-1-3-14-4-2-12;1-11-7(10)5-2-6(8)4-9-3-5;1-3-6-4-2-5-1/h6-8H,2-5H2,1H3;5-7,13H,1-4,8H2;2-4H,1H3;5H,1-4H2
• InChIKey: SUXYWDPTQMOMCL-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 157.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.63
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol?

The IUPAC name of methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol (CID 160944495) is methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol.

What is the SMILES notation for methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol?

The canonical SMILES for methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol is C1COCCN1.COC(=O)c1cncc(Br)c1.COC(=O)c1cncc(N2CCOCC2)c1.OCc1cncc(N2CCOCC2)c1.

What is the InChIKey of methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol?

The InChIKey is SUXYWDPTQMOMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C10H14N2O2.C7H6BrNO2.C4H9NO/c1-15-11(14)9-6-10(8-12-7-9)13-2-4-16-5-3-13;13-8-9-5-10(7-11-6-9)12-1-3-14-4-2-12;1-11-7(10)5-2-6(8)4-9-3-5;1-3-6-4-2-5-1/h6-8H,2-5H2,1H3;5-7,13H,1-4,8H2;2-4H,1H3;5H,1-4H2.

What are the key properties of methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol?

methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol has a molecular weight of 719.63 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-bromopyridine-3-carboxylate;methyl 5-morpholin-4-ylpyridine-3-carboxylate;morpholine;(5-morpholin-4-yl-3-pyridinyl)methanol is sourced from PubChem (CID 160944495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).