4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol

C9H12BrFN2O — CID 104919055

IUPAC4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(Br)cc1F
InChIInChI=1S/C9H12BrFN2O/c1-6(14)2-3-12-9-8(11)4-7(10)5-13-9/h4-6,14H,2-3H2,1H3,(H,12,13)
InChIKeyZENSIZFRHXZPDX-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.17
Rot. Bonds4

About 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol

4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol (PubChem CID 104919055) has the molecular formula C9H12BrFN2O and a molecular weight of 263.11 g/mol. Its IUPAC name is 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol
PubChem CID104919055
Molecular FormulaC9H12BrFN2O
Molecular Weight263.11 g/mol
Exact Mass262.01
IUPAC Name4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1ncc(Br)cc1F
InChIInChI=1S/C9H12BrFN2O/c1-6(14)2-3-12-9-8(11)4-7(10)5-13-9/h4-6,14H,2-3H2,1H3,(H,12,13)
InChIKeyZENSIZFRHXZPDX-UHFFFAOYSA-N
XLogP2.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11412479
2-N-(3-Aminopropyl)-amino-5-bromopyridine
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5-bromo-N-ethylpyridin-2-amine
CID 22504916
2-((5-Bromopyridin-2-yl)amino)-2-methylpropan-1-ol
CID 43500209
5-Bromo-N-(propan-2-yl)pyridin-2-amine
CID 29551250
1-(5-Bromopyridin-2-yl)azetidin-3-ol
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(2S)-2-((5-bromopyridin-2-yl)amino)propan-1-ol
CID 70223643
2-[(5-Bromo-2-Pyridyl)-Methyl-Amino]ethanol
CID 10657129
5-bromo-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71871023
1-[[(5-Bromo-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 71983720
5-bromo-N-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpyridin-2-amine
CID 75379547
(2S)-2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 86818054

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol (CID 104919055) is 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol is CC(O)CCNc1ncc(Br)cc1F.
What is the InChIKey of 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is ZENSIZFRHXZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O/c1-6(14)2-3-12-9-8(11)4-7(10)5-13-9/h4-6,14H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol?
4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol has a molecular weight of 263.11 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-fluoro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 104919055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).