(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol

C9H13BrN2O — CID 130840689

IUPAC(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol
SMILESCc1cc(Br)cnc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C9H13BrN2O/c1-5-3-7(10)4-12-9(5)8(11)6(2)13/h3-4,6,8,13H,11H2,1-2H3/t6-,8-/m1/s1
InChIKeyIRSCBNAAVBRZHZ-HTRCEHHLSA-N
MW245.12 g/mol
LogP1.53
Rot. Bonds2

About (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol

(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol (PubChem CID 130840689) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol
PubChem CID130840689
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol
SMILESCc1cc(Br)cnc1[C@H](N)[C@@H](C)O
InChIInChI=1S/C9H13BrN2O/c1-5-3-7(10)4-12-9(5)8(11)6(2)13/h3-4,6,8,13H,11H2,1-2H3/t6-,8-/m1/s1
InChIKeyIRSCBNAAVBRZHZ-HTRCEHHLSA-N
XLogP1.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-3-methyl-2-pyridinyl)butan-2-amine
CID 79718137
(1R,2R)-1-amino-1-(5-bromo-3-chloro-2-pyridinyl)propan-2-ol
CID 130774791
5-bromo-2-(difluoromethyl)-3-methylpyridine
CID 130095050
2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine
CID 79718140
methyl 3-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]-2-methylpropanoate
CID 79713622
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
(1S,2S)-1-amino-1-(6-fluoro-5-methyl-3-pyridinyl)propan-2-ol
CID 55292212
acetylene;5-bromo-3-methylpyridin-2-amine
CID 143713181
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
5-bromo-2-(difluoromethyl)pyridin-3-amine
CID 130094563
1-N-(5-bromo-3-methyl-2-pyridinyl)pentane-1,4-diamine
CID 106127370
(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
CID 113393932

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol (CID 130840689) is (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol is Cc1cc(Br)cnc1[C@H](N)[C@@H](C)O.
What is the InChIKey of (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol?
The InChIKey is IRSCBNAAVBRZHZ-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-5-3-7(10)4-12-9(5)8(11)6(2)13/h3-4,6,8,13H,11H2,1-2H3/t6-,8-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol?
(1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-bromo-3-methyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 130840689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).