4-(3-bromo-2-pyridinyl)butan-2-ol

C9H12BrNO — CID 130576069

IUPAC4-(3-bromo-2-pyridinyl)butan-2-ol
SMILESCC(O)CCc1ncccc1Br
InChIInChI=1S/C9H12BrNO/c1-7(12)4-5-9-8(10)3-2-6-11-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyWAEIPDXITICGIX-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.16
Rot. Bonds3

About 4-(3-bromo-2-pyridinyl)butan-2-ol

4-(3-bromo-2-pyridinyl)butan-2-ol (PubChem CID 130576069) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 4-(3-bromo-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name4-(3-bromo-2-pyridinyl)butan-2-ol
PubChem CID130576069
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name4-(3-bromo-2-pyridinyl)butan-2-ol
SMILESCC(O)CCc1ncccc1Br
InChIInChI=1S/C9H12BrNO/c1-7(12)4-5-9-8(10)3-2-6-11-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyWAEIPDXITICGIX-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-pyridinyl)propan-2-amine;hydrochloride
CID 170894346
4-(3-bromo-2-pyridinyl)butan-2-one
CID 130575763
5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
[[1-bis[[hydroxy(methyl)phosphanyl]oxy]phosphoryl-3-(3-bromo-2-pyridinyl)propyl]-[hydroxy(methyl)phosphanyl]oxyphosphoryl]oxy-methylphosphinous acid
CID 158417465
3-bromo-2-(3-bromo-2-methylbutyl)pyridine
CID 130576080
1-(3-bromo-2-pyridinyl)-3-methylbutane-2,3-diol
CID 130575838
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate
CID 24806985
3-bromo-2-(2-chloropentyl)pyridine
CID 63203121
4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]butan-2-ol
CID 115982097
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
2-amino-3-(3-bromo-2-pyridinyl)propan-1-ol
CID 130576237

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-pyridinyl)butan-2-ol?
The IUPAC name of 4-(3-bromo-2-pyridinyl)butan-2-ol (CID 130576069) is 4-(3-bromo-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 4-(3-bromo-2-pyridinyl)butan-2-ol?
The canonical SMILES for 4-(3-bromo-2-pyridinyl)butan-2-ol is CC(O)CCc1ncccc1Br.
What is the InChIKey of 4-(3-bromo-2-pyridinyl)butan-2-ol?
The InChIKey is WAEIPDXITICGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7(12)4-5-9-8(10)3-2-6-11-9/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of 4-(3-bromo-2-pyridinyl)butan-2-ol?
4-(3-bromo-2-pyridinyl)butan-2-ol has a molecular weight of 230.10 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 130576069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).