3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol

C9H12BrNO2 — CID 174205406

IUPAC3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
SMILESCC(CCO)Oc1cncc(Br)c1
InChIInChI=1S/C9H12BrNO2/c1-7(2-3-12)13-9-4-8(10)5-11-6-9/h4-7,12H,2-3H2,1H3
InChIKeyHHQCBGFDSCJZNK-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.99
Rot. Bonds4

About 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol

3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol (PubChem CID 174205406) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
PubChem CID174205406
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol
SMILESCC(CCO)Oc1cncc(Br)c1
InChIInChI=1S/C9H12BrNO2/c1-7(2-3-12)13-9-4-8(10)5-11-6-9/h4-7,12H,2-3H2,1H3
InChIKeyHHQCBGFDSCJZNK-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(1-ethoxypropan-2-yloxy)pyridine
CID 103488077
(2S)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933139
(2R)-1-[(5-bromo-3-pyridinyl)oxy]propan-2-ol
CID 106933138
methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
3-(3,5-dimethoxyphenoxy)butan-1-ol
CID 112508096
3-bromo-5-[(1R)-1-(2,6-dichlorophenyl)ethoxy]pyridine
CID 141396943
5-pentan-2-yloxypyridine-3-carboxylic acid
CID 107890063
3-bromo-5-(1,2,2,2-tetrafluoroethoxy)pyridine
CID 175443421
(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol
CID 168916570
2-[1-(5-propan-2-yloxy-3-pyridinyl)propan-2-yloxy]ethanol
CID 134597504
[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80921780

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol (CID 174205406) is 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol is CC(CCO)Oc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol?
The InChIKey is HHQCBGFDSCJZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-7(2-3-12)13-9-4-8(10)5-11-6-9/h4-7,12H,2-3H2,1H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol?
3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol has a molecular weight of 246.10 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)oxy]butan-1-ol is sourced from PubChem (CID 174205406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).