6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine

C25H26BF7N6O2 — CID 159438237

IUPAC6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
SMILESC.Cc1ncc(-c2cccc(N)n2)cc1C(F)(F)F.Cc1ncc(B(O)O)cc1C(F)(F)F.Nc1cccc(F)n1
InChIInChI=1S/C12H10F3N3.C7H7BF3NO2.C5H5FN2.CH4/c1-7-9(12(13,14)15)5-8(6-17-7)10-3-2-4-11(16)18-10;1-4-6(7(9,10)11)2-5(3-12-4)8(13)14;6-4-2-1-3-5(7)8-4;/h2-6H,1H3,(H2,16,18);2-3,13-14H,1H3;1-3H,(H2,7,8);1H4
InChIKeyLRVPWNZPZJKKQN-UHFFFAOYSA-N
MW586.32 g/mol
LogP4.58
Rot. Bonds2

About 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine

6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine (PubChem CID 159438237) has the molecular formula C25H26BF7N6O2 and a molecular weight of 586.32 g/mol. Its IUPAC name is 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
PubChem CID159438237
Molecular FormulaC25H26BF7N6O2
Molecular Weight586.32 g/mol
Exact Mass586.21
IUPAC Name6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
SMILESC.Cc1ncc(-c2cccc(N)n2)cc1C(F)(F)F.Cc1ncc(B(O)O)cc1C(F)(F)F.Nc1cccc(F)n1
InChIInChI=1S/C12H10F3N3.C7H7BF3NO2.C5H5FN2.CH4/c1-7-9(12(13,14)15)5-8(6-17-7)10-3-2-4-11(16)18-10;1-4-6(7(9,10)11)2-5(3-12-4)8(13)14;6-4-2-1-3-5(7)8-4;/h2-6H,1H3,(H2,16,18);2-3,13-14H,1H3;1-3H,(H2,7,8);1H4
InChIKeyLRVPWNZPZJKKQN-UHFFFAOYSA-N
XLogP4.58
TPSA144.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.32
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
(R)-6-(3-Amino-2-(5-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)pyridin-3-Yl)propyl)-4-Methylpyridin-2-Amine
CID 73659118
6(3Amino2{5[2(6amino4methylpyridin2 yl)ethyl]pyridin3yl}propyl)4methylpyridin2amine (7)
CID 86767080
6-[(2s)-3-Amino-2-{5-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]pyridin-3-Yl}propyl]-4-Methylpyridin-2-Amine
CID 90656641
N-(6-((1S)-1-(4-Fluorophenyl)-2,2-di-3-pyridinylethyl)-2-pyridinyl)methanesulfonamide
CID 11525190
7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)-pyridin-2-yl]-1,5-naphthyridin-4-amine
CID 46203540
6-(2-piperazin-1-ylpyridin-4-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 56947357
6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56949221
N-(4-methyl-2-pyridinyl)-6-(2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine
CID 56949223
N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
CID 67149958
N2'-(trans-4-aminocyclohexyl)-N6-(3-fluorobenzyl)-4-(trifluoromethyl)-2,4'-bipyridine-2',6-diamine
CID 66937000

Frequently Asked Questions

What is the IUPAC name of 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine (CID 159438237) is 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine is C.Cc1ncc(-c2cccc(N)n2)cc1C(F)(F)F.Cc1ncc(B(O)O)cc1C(F)(F)F.Nc1cccc(F)n1.
What is the InChIKey of 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
The InChIKey is LRVPWNZPZJKKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3.C7H7BF3NO2.C5H5FN2.CH4/c1-7-9(12(13,14)15)5-8(6-17-7)10-3-2-4-11(16)18-10;1-4-6(7(9,10)11)2-5(3-12-4)8(13)14;6-4-2-1-3-5(7)8-4;/h2-6H,1H3,(H2,16,18);2-3,13-14H,1H3;1-3H,(H2,7,8);1H4.
What are the key properties of 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine?
6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine has a molecular weight of 586.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoropyridin-2-amine;methane;[6-methyl-5-(trifluoromethyl)-3-pyridinyl]boronic acid;6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 159438237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).