5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium

C45H79BBrN6O3Pd- — CID 160925449

IUPAC5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium
SMILESC.C.C.C.CC1(C)OB(C2=CCCCC2)OC1(C)C.CO.Nc1ccc(Br)cn1.Nc1ccc(C2=CCCCC2)cn1.Nc1ccc(C2CCCCC2)cn1.[CH3-].[Pd]
InChIInChI=1S/C12H21BO2.C11H16N2.C11H14N2.C5H5BrN2.CH4O.4CH4.CH3.Pd/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;2*12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;6-4-1-2-5(7)8-3-4;1-2;;;;;;/h8H,5-7,9H2,1-4H3;6-9H,1-5H2,(H2,12,13);4,6-8H,1-3,5H2,(H2,12,13);1-3H,(H2,7,8);2H,1H3;4*1H4;1H3;/q;;;;;;;;;-1;
InChIKeyDROQSTOWJLGUMY-UHFFFAOYSA-N
MW949.30 g/mol
LogP12.48
Rot. Bonds3

About 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium

5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium (PubChem CID 160925449) has the molecular formula C45H79BBrN6O3Pd- and a molecular weight of 949.30 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium.

Molecular Properties

Compound Name5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium
PubChem CID160925449
Molecular FormulaC45H79BBrN6O3Pd-
Molecular Weight949.30 g/mol
Exact Mass947.45
IUPAC Name5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium
SMILESC.C.C.C.CC1(C)OB(C2=CCCCC2)OC1(C)C.CO.Nc1ccc(Br)cn1.Nc1ccc(C2=CCCCC2)cn1.Nc1ccc(C2CCCCC2)cn1.[CH3-].[Pd]
InChIInChI=1S/C12H21BO2.C11H16N2.C11H14N2.C5H5BrN2.CH4O.4CH4.CH3.Pd/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;2*12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;6-4-1-2-5(7)8-3-4;1-2;;;;;;/h8H,5-7,9H2,1-4H3;6-9H,1-5H2,(H2,12,13);4,6-8H,1-3,5H2,(H2,12,13);1-3H,(H2,7,8);2H,1H3;4*1H4;1H3;/q;;;;;;;;;-1;
InChIKeyDROQSTOWJLGUMY-UHFFFAOYSA-N
XLogP12.48
TPSA155.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.30
LogP ≤ 512.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium with MolForge

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Related Compounds

5-Bromo-3-(trifluoromethyl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridin-2-amine;3-(trifluoromethyl)pyridin-2-amine
CID 161833786
(6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157189322
(6-Amino-3-pyridinyl)boronic acid;1-bromo-3-tert-butylbenzene;5-(3-tert-butylphenyl)pyridin-2-amine
CID 157322591
1-Bromo-3-cyclopropylbenzene;5-(3-cyclopropylphenyl)-3-fluoropyridin-2-amine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157800296
(6-Amino-3-pyridinyl)boronic acid;1-bromo-3-phenylbenzene;5-(3-phenylphenyl)pyridin-2-amine
CID 157886860
3-Bromo-5-(3-methyl-4-pyridinyl)pyridin-2-amine;4-chloro-3-methylpyridine;5-(3-methyl-4-pyridinyl)pyridin-2-amine;5-(3-methyl-4-pyridinyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 158471790
5-Bromopyridin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 159074433
5-bromo-4-methylpyridin-2-amine;tert-butyl 4-(6-amino-4-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159516528
5-Bromo-3-fluoropyridin-2-amine;3-fluoropyridin-2-amine;3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 159758452
3-Bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 160547432
5-bromo-N-(cyclohexylmethyl)pyridin-2-amine;5-bromopyridin-2-amine;[6-(cyclohexylmethylamino)-3-pyridinyl]boronic acid
CID 160853292
3-(4-Aminophenyl)-5-bromopyridin-2-amine;5-bromo-3-iodopyridin-2-amine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 160898346

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium?
The IUPAC name of 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium (CID 160925449) is 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium.
What is the SMILES notation for 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium?
The canonical SMILES for 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium is C.C.C.C.CC1(C)OB(C2=CCCCC2)OC1(C)C.CO.Nc1ccc(Br)cn1.Nc1ccc(C2=CCCCC2)cn1.Nc1ccc(C2CCCCC2)cn1.[CH3-].[Pd].
What is the InChIKey of 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium?
The InChIKey is DROQSTOWJLGUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BO2.C11H16N2.C11H14N2.C5H5BrN2.CH4O.4CH4.CH3.Pd/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10;2*12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;6-4-1-2-5(7)8-3-4;1-2;;;;;;/h8H,5-7,9H2,1-4H3;6-9H,1-5H2,(H2,12,13);4,6-8H,1-3,5H2,(H2,12,13);1-3H,(H2,7,8);2H,1H3;4*1H4;1H3;/q;;;;;;;;;-1;.
What are the key properties of 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium?
5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium has a molecular weight of 949.30 g/mol, XLogP of 12.48, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium is sourced from PubChem (CID 160925449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).