4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol

C9H13BrN2O — CID 104802664

IUPAC4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
SMILESNCCC(O)Cc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c10-8-3-7(5-12-6-8)4-9(13)1-2-11/h3,5-6,9,13H,1-2,4,11H2
InChIKeyZRTMVWBCFQECNE-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.10
Rot. Bonds4

About 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol

4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol (PubChem CID 104802664) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
PubChem CID104802664
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol
SMILESNCCC(O)Cc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c10-8-3-7(5-12-6-8)4-9(13)1-2-11/h3,5-6,9,13H,1-2,4,11H2
InChIKeyZRTMVWBCFQECNE-UHFFFAOYSA-N
XLogP1.10
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
1-(5-bromo-3-pyridinyl)-4,6,6-trimethylheptan-2-ol
CID 115833444
1-(5-bromo-3-pyridinyl)-4-(3-methylphenoxy)butan-2-ol
CID 105126440
2-[(5-bromo-3-pyridinyl)methylsulfonyl]ethanamine
CID 104814000
3-(5-bromo-3-pyridinyl)-2-chloropropanamide
CID 130486994
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol?
The IUPAC name of 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol (CID 104802664) is 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol is NCCC(O)Cc1cncc(Br)c1.
What is the InChIKey of 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol?
The InChIKey is ZRTMVWBCFQECNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-8-3-7(5-12-6-8)4-9(13)1-2-11/h3,5-6,9,13H,1-2,4,11H2.
What are the key properties of 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol?
4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromo-3-pyridinyl)butan-2-ol is sourced from PubChem (CID 104802664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).