6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane

C31H34BBrF4N8O2 — CID 157298813

IUPAC6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane
SMILESC.Nc1cccc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1.Nc1cccc(Br)n1.OB(O)c1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C15H14F2N4.C10H11BF2N2O2.C5H5BrN2.CH4/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12;12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)11(16)17;6-4-2-1-3-5(7)8-4;/h1-6,10-11H,7-8H2,(H2,18,20);1-3,7-8,16-17H,4-5H2;1-3H,(H2,7,8);1H4
InChIKeyBBQQCKAVBDDOJC-UHFFFAOYSA-N
MW717.38 g/mol
LogP3.95
Rot. Bonds4

About 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane

6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane (PubChem CID 157298813) has the molecular formula C31H34BBrF4N8O2 and a molecular weight of 717.38 g/mol. Its IUPAC name is 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane.

Molecular Properties

Compound Name6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane
PubChem CID157298813
Molecular FormulaC31H34BBrF4N8O2
Molecular Weight717.38 g/mol
Exact Mass716.20
IUPAC Name6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane
SMILESC.Nc1cccc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1.Nc1cccc(Br)n1.OB(O)c1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C15H14F2N4.C10H11BF2N2O2.C5H5BrN2.CH4/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12;12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)11(16)17;6-4-2-1-3-5(7)8-4;/h1-6,10-11H,7-8H2,(H2,18,20);1-3,7-8,16-17H,4-5H2;1-3H,(H2,7,8);1H4
InChIKeyBBQQCKAVBDDOJC-UHFFFAOYSA-N
XLogP3.95
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500717.38
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane with MolForge

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Related Compounds

5-Bromo-2-(trifluoromethyl)pyridine;6-chloropyridin-2-amine;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 158717857
2-Chloropyrimidin-4-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-amine
CID 159062147
6-Bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine
CID 159779025
CID 159978105
CID 159978105
3-(5-Bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;6-bromopyridin-2-amine;6-[5-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]pyridin-2-amine
CID 160221079
3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine
CID 160339642
2-Chloropyrimidin-4-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;2-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyrimidin-4-amine;methane
CID 160418173
6-Bromopyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 160925868
CID 161845786
CID 161845786
6-Bromopyridin-2-amine;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 161856492
3-(6-bromo-2-pyridinyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane;N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine;diphenylmethanimine;methane
CID 162206047
2-[2-(5-bromo-3-pyridinyl)ethyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine;1-[5-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]-3-pyridinyl]-4-methyl-3,5-dihydro-2H-pyrazin-1-ium;4-methyl-6-[2-[5-(4-methyl-3,5-dihydro-2H-pyrazin-1-ium-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine;tungsten;yttrium
CID 157188253

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane?
The IUPAC name of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane (CID 157298813) is 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane.
What is the SMILES notation for 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane?
The canonical SMILES for 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane is C.Nc1cccc(-c2ccc(N3CC4C(C3)C4(F)F)nc2)n1.Nc1cccc(Br)n1.OB(O)c1ccc(N2CC3C(C2)C3(F)F)nc1.
What is the InChIKey of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane?
The InChIKey is BBQQCKAVBDDOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4.C10H11BF2N2O2.C5H5BrN2.CH4/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12;12-10(13)7-4-15(5-8(7)10)9-2-1-6(3-14-9)11(16)17;6-4-2-1-3-5(7)8-4;/h1-6,10-11H,7-8H2,(H2,18,20);1-3,7-8,16-17H,4-5H2;1-3H,(H2,7,8);1H4.
What are the key properties of 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane?
6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane has a molecular weight of 717.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridin-2-amine;[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]boronic acid;6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]pyridin-2-amine;methane is sourced from PubChem (CID 157298813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).