1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

C11H16BrFN2O2 — CID 106253455

IUPAC1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2O2/c1-11(16,3-4-17-2)7-15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyFKVOVLYNEVDWAW-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.18
Rot. Bonds6

About 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol

1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 106253455) has the molecular formula C11H16BrFN2O2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
PubChem CID106253455
Molecular FormulaC11H16BrFN2O2
Molecular Weight307.16 g/mol
Exact Mass306.04
IUPAC Name1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ncc(Br)cc1F
InChIInChI=1S/C11H16BrFN2O2/c1-11(16,3-4-17-2)7-15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyFKVOVLYNEVDWAW-UHFFFAOYSA-N
XLogP2.18
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol with MolForge

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Related Compounds

1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104919061
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106258036
3-[(5-bromo-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104923993
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
1-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 104576400
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
4-methoxy-2-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 114165086
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
1-[(3-bromo-5-fluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164721
5-bromo-N-(2-bromoprop-2-enyl)-3-fluoropyridin-2-amine
CID 104924052

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol (CID 106253455) is 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ncc(Br)cc1F.
What is the InChIKey of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is FKVOVLYNEVDWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2O2/c1-11(16,3-4-17-2)7-15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol?
1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 307.16 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-fluoro-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106253455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).