5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol

C11H11BrFN3O — CID 67469089

IUPAC5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol
SMILESCN1C=C(Br)C=C(Nc2ccc(F)cn2)C1O
InChIInChI=1S/C11H11BrFN3O/c1-16-6-7(12)4-9(11(16)17)15-10-3-2-8(13)5-14-10/h2-6,11,17H,1H3,(H,14,15)
InChIKeyCXMRXBDAXZZVHP-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.02
Rot. Bonds2

About 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol

5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol (PubChem CID 67469089) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol
PubChem CID67469089
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol
SMILESCN1C=C(Br)C=C(Nc2ccc(F)cn2)C1O
InChIInChI=1S/C11H11BrFN3O/c1-16-6-7(12)4-9(11(16)17)15-10-3-2-8(13)5-14-10/h2-6,11,17H,1H3,(H,14,15)
InChIKeyCXMRXBDAXZZVHP-UHFFFAOYSA-N
XLogP2.02
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol?
The IUPAC name of 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol (CID 67469089) is 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol.
What is the SMILES notation for 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol?
The canonical SMILES for 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol is CN1C=C(Br)C=C(Nc2ccc(F)cn2)C1O.
What is the InChIKey of 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol?
The InChIKey is CXMRXBDAXZZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-6-7(12)4-9(11(16)17)15-10-3-2-8(13)5-14-10/h2-6,11,17H,1H3,(H,14,15).
What are the key properties of 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol?
5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol has a molecular weight of 300.13 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 67469089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).