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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Related Compounds

5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
CID 129063563
5-fluoro-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 135228039
N-(1,3-dimethylpyrazol-4-yl)-5-fluoropyridin-2-amine
CID 102806096
5-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504146
2-(5-fluoro-2-pyridinyl)-1,1-dimethylhydrazine
CID 83025628
5-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 103967192
N-cyclopropyl-5-fluoropyridin-2-amine
CID 61313330
N'-(5-fluoro-2-pyridinyl)-1-methylpiperidine-2-carbohydrazide
CID 123425536
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
N'-(5-fluoro-2-pyridinyl)-1-methylcyclobutane-1-carbohydrazide
CID 137354234
2-bromo-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103754643
6-[(5-fluoro-2-pyridinyl)amino]-N-methoxypyridine-3-carboxamide
CID 175915305

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).