3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol

C9H13BrN2O — CID 84704910

IUPAC3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol
SMILESCc1cncc(Br)c1C(O)CCN
InChIInChI=1S/C9H13BrN2O/c1-6-4-12-5-7(10)9(6)8(13)2-3-11/h4-5,8,13H,2-3,11H2,1H3
InChIKeyFXHGJCGTWLUAMP-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.53
Rot. Bonds3

About 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol

3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol (PubChem CID 84704910) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol
PubChem CID84704910
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol
SMILESCc1cncc(Br)c1C(O)CCN
InChIInChI=1S/C9H13BrN2O/c1-6-4-12-5-7(10)9(6)8(13)2-3-11/h4-5,8,13H,2-3,11H2,1H3
InChIKeyFXHGJCGTWLUAMP-UHFFFAOYSA-N
XLogP1.53
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
(3-bromo-5-methyl-4-pyridinyl)methanamine
CID 84669814
2-(5-bromo-4-methyl-3-pyridinyl)ethanamine
CID 83886537
3-amino-1-(4-bromo-3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84810969
3-amino-1-(2-bromo-5-methylphenyl)propan-1-ol
CID 81116743
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168
1-(3,5-dibromo-4-pyridinyl)propane-1,2,3-triol
CID 170819235
3-amino-1-(3-bromo-4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 84814417
4-amino-1-(3-methyl-4-pyridinyl)butane-1,2-diol
CID 171880754
3-amino-1-(5-chloro-3-methyl-2-pyridinyl)propan-1-ol
CID 84669773
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
1-(3,5-dibromo-4-pyridinyl)prop-2-en-1-ol
CID 130778838

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol (CID 84704910) is 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol is Cc1cncc(Br)c1C(O)CCN.
What is the InChIKey of 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol?
The InChIKey is FXHGJCGTWLUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6-4-12-5-7(10)9(6)8(13)2-3-11/h4-5,8,13H,2-3,11H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol?
3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-5-methyl-4-pyridinyl)propan-1-ol is sourced from PubChem (CID 84704910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).