1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol

C10H14BrFN2O — CID 104924845

IUPAC1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ncc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O/c1-2-8(15)3-4-13-10-9(12)5-7(11)6-14-10/h5-6,8,15H,2-4H2,1H3,(H,13,14)
InChIKeyLFTSVQHMLDCBSF-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.56
Rot. Bonds5

About 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol

1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol (PubChem CID 104924845) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol
PubChem CID104924845
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol
SMILESCCC(O)CCNc1ncc(Br)cc1F
InChIInChI=1S/C10H14BrFN2O/c1-2-8(15)3-4-13-10-9(12)5-7(11)6-14-10/h5-6,8,15H,2-4H2,1H3,(H,13,14)
InChIKeyLFTSVQHMLDCBSF-UHFFFAOYSA-N
XLogP2.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11412479
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CID 22504916
2-((5-Bromopyridin-2-yl)amino)-2-methylpropan-1-ol
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5-Bromo-N-(propan-2-yl)pyridin-2-amine
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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 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol?
The IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol (CID 104924845) is 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol?
The canonical SMILES for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol is CCC(O)CCNc1ncc(Br)cc1F.
What is the InChIKey of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol?
The InChIKey is LFTSVQHMLDCBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-2-8(15)3-4-13-10-9(12)5-7(11)6-14-10/h5-6,8,15H,2-4H2,1H3,(H,13,14).
What are the key properties of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol?
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol has a molecular weight of 277.14 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]pentan-3-ol is sourced from PubChem (CID 104924845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).