(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol

C9H13BrN2O — CID 99857782

IUPAC(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
SMILESC[C@@H](O)CN(C)c1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2O/c1-7(13)6-12(2)9-5-8(10)3-4-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyAYHREDBKILJYER-SSDOTTSWSA-N
MW245.12 g/mol
LogP1.66
Rot. Bonds3

About (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol

(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol (PubChem CID 99857782) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
PubChem CID99857782
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol
SMILESC[C@@H](O)CN(C)c1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2O/c1-7(13)6-12(2)9-5-8(10)3-4-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1
InChIKeyAYHREDBKILJYER-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

3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
4-bromo-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]pyridin-2-amine
CID 146104877
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221
1-[(5-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333552
N-(2-bromopropyl)-N,4-dimethylpyridin-2-amine
CID 80670331
(4-bromo-2-pyridinyl)-methylcarbamic acid
CID 68656827
1-[methyl(pyrimidin-4-yl)amino]propan-2-ol
CID 62332971
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methylpropyl)carbamate
CID 156580262
methyl N-(4-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268384
(1S)-1-[2-[methyl(2-methylsulfanylethyl)amino]-4-pyridinyl]ethanol
CID 103955125

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol (CID 99857782) is (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol is C[C@@H](O)CN(C)c1cc(Br)ccn1.
What is the InChIKey of (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol?
The InChIKey is AYHREDBKILJYER-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(13)6-12(2)9-5-8(10)3-4-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol?
(2R)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-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)-1-[(4-bromo-2-pyridinyl)-methylamino]propan-2-ol is sourced from PubChem (CID 99857782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).