(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol

C9H13BrN2O — CID 130703156

IUPAC(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
SMILESC[C@H](CO)N(C)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyKTNVVJLUZOMODI-SSDOTTSWSA-N
MW245.12 g/mol
LogP1.66
Rot. Bonds3

About (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol

(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol (PubChem CID 130703156) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
PubChem CID130703156
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
SMILESC[C@H](CO)N(C)c1ncccc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyKTNVVJLUZOMODI-SSDOTTSWSA-N
XLogP1.66
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
CID 106876368
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
CID 104552120
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
1-(3-bromo-2-pyridinyl)-1-methylhydrazine
CID 53402715
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61374673
N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 104555263
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
3-[(3-bromo-2-pyridinyl)-methylamino]propanethioamide
CID 61373156
2-N-(3-fluoro-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 83828629

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol (CID 130703156) is (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol is C[C@H](CO)N(C)c1ncccc1Br.
What is the InChIKey of (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol?
The InChIKey is KTNVVJLUZOMODI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol?
(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol is sourced from PubChem (CID 130703156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).