2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate

C15H18Br2N4O3 — CID 157272604

IUPAC2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate
SMILESCC(C)(O)c1cc(Br)cnc1N.COC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C8H11BrN2O.C7H7BrN2O2/c1-8(2,12)6-3-5(9)4-11-7(6)10;1-12-7(11)5-2-4(8)3-10-6(5)9/h3-4,12H,1-2H3,(H2,10,11);2-3H,1H3,(H2,9,10)
InChIKeyAYSHEKQAIUTVLV-UHFFFAOYSA-N
MW462.14 g/mol
LogP2.87
Rot. Bonds2

About 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate

2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate (PubChem CID 157272604) has the molecular formula C15H18Br2N4O3 and a molecular weight of 462.14 g/mol. Its IUPAC name is 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate
PubChem CID157272604
Molecular FormulaC15H18Br2N4O3
Molecular Weight462.14 g/mol
Exact Mass459.97
IUPAC Name2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate
SMILESCC(C)(O)c1cc(Br)cnc1N.COC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C8H11BrN2O.C7H7BrN2O2/c1-8(2,12)6-3-5(9)4-11-7(6)10;1-12-7(11)5-2-4(8)3-10-6(5)9/h3-4,12H,1-2H3,(H2,10,11);2-3H,1H3,(H2,9,10)
InChIKeyAYSHEKQAIUTVLV-UHFFFAOYSA-N
XLogP2.87
TPSA124.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.14
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 60156214
methyl 5-bromo-2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 73295685
ethyl 5-[(E)-2-(2-amino-5-methyl-3-pyridinyl)ethenyl]pyridine-3-carboxylate
CID 44527067
Methyl 5-bromo-2-[4-[(3-hydroxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 60156206
methyl 5-bromo-2-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 60156210
Methyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156211
Methyl 5-bromo-2-[4-(cyclopentylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156217
Methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate
CID 60156231
Propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156234
Methyl 5-bromo-2-[4-(cycloheptylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156237
Methyl 5-bromo-2-[4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 60156238
Methyl 5-bromo-2-[4-[(4-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 60156240

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate?
The IUPAC name of 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate (CID 157272604) is 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate.
What is the SMILES notation for 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate?
The canonical SMILES for 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate is CC(C)(O)c1cc(Br)cnc1N.COC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate?
The InChIKey is AYSHEKQAIUTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O.C7H7BrN2O2/c1-8(2,12)6-3-5(9)4-11-7(6)10;1-12-7(11)5-2-4(8)3-10-6(5)9/h3-4,12H,1-2H3,(H2,10,11);2-3H,1H3,(H2,9,10).
What are the key properties of 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate?
2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate has a molecular weight of 462.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromo-3-pyridinyl)propan-2-ol;methyl 2-amino-5-bromopyridine-3-carboxylate is sourced from PubChem (CID 157272604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).