5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane

C67H76Br2F4N8O10 — CID 158583220

IUPAC5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane
SMILESC.C.CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C=O)cn1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Fc1ccccc1CNc1ccc(Br)cn1.Nc1ccc(Br)cn1.O=Cc1ccc(NCc2ccccc2F)nc1.O=Cc1ccccc1F
InChIInChI=1S/C18H19FN2O3.C13H11FN2O.C12H10BrFN2.C10H18O5.C7H5FO.C5H5BrN2.2CH4/c1-18(2,3)24-17(23)21(11-14-6-4-5-7-15(14)19)16-9-8-13(12-22)10-20-16;14-12-4-2-1-3-11(12)8-16-13-6-5-10(9-17)7-15-13;13-10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-7-4-2-1-3-6(7)5-9;6-4-1-2-5(7)8-3-4;;/h4-10,12H,11H2,1-3H3;1-7,9H,8H2,(H,15,16);1-6,8H,7H2,(H,15,16);1-6H3;1-5H;1-3H,(H2,7,8);2*1H4
InChIKeyHTMUVWGSWNBQCD-UHFFFAOYSA-N
MW1389.19 g/mol
LogP17.43
Rot. Bonds12

About 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane

5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane (PubChem CID 158583220) has the molecular formula C67H76Br2F4N8O10 and a molecular weight of 1389.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane.

Molecular Properties

Compound Name5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane
PubChem CID158583220
Molecular FormulaC67H76Br2F4N8O10
Molecular Weight1389.19 g/mol
Exact Mass1386.40
IUPAC Name5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane
SMILESC.C.CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C=O)cn1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Fc1ccccc1CNc1ccc(Br)cn1.Nc1ccc(Br)cn1.O=Cc1ccc(NCc2ccccc2F)nc1.O=Cc1ccccc1F
InChIInChI=1S/C18H19FN2O3.C13H11FN2O.C12H10BrFN2.C10H18O5.C7H5FO.C5H5BrN2.2CH4/c1-18(2,3)24-17(23)21(11-14-6-4-5-7-15(14)19)16-9-8-13(12-22)10-20-16;14-12-4-2-1-3-11(12)8-16-13-6-5-10(9-17)7-15-13;13-10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-7-4-2-1-3-6(7)5-9;6-4-1-2-5(7)8-3-4;;/h4-10,12H,11H2,1-3H3;1-7,9H,8H2,(H,15,16);1-6,8H,7H2,(H,15,16);1-6H3;1-5H;1-3H,(H2,7,8);2*1H4
InChIKeyHTMUVWGSWNBQCD-UHFFFAOYSA-N
XLogP17.43
TPSA244.22 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.19
LogP ≤ 517.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-bromopyridin-2-amine;5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;methane;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
CID 158363593
5-bromo-6-methylpyridin-2-amine;5-bromo-6-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde
CID 158993077
5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde
CID 159759740
5-bromo-6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;tert-butyl N-(6-chloro-5-formyl-2-pyridinyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]carbamate;6-chloropyridin-2-amine;2-chloro-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;6-chloro-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine;6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 160580129
5-bromo-6-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine;5-bromo-6-methylpyridin-2-amine;tert-butyl N-(5-formyl-6-methyl-2-pyridinyl)-N-[(4-methylphenyl)methyl]carbamate;methane;2-methyl-6-[(4-methylphenyl)methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde
CID 160768737
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-carbamimidoyl-2-fluorobenzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(morpholine-4-carboximidoyl)benzamide;N-[2-[(5-bromo-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 157321999
2-Bromopyridine-3-carbaldehyde;tert-butyl 4-(3-formyl-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 158212697
1-(2-Amino-5-bromo-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-bromo-3-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one;diethoxymethoxyethane
CID 158357075
2-[[4-(azetidine-1-carboximidoyl)benzoyl]amino]-N-(5-bromo-2-pyridinyl)-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-fluorobenzamide;N-(5-bromo-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 158506154
5-bromopyridine-3-carbaldehyde;(E)-3-(5-bromo-3-pyridinyl)-1-(4-fluorophenyl)prop-2-en-1-one;1-(4-fluorophenyl)ethanone;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]acetamide
CID 158618211
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-ethyl-6-piperazin-1-ylpyridine-3-carboxamide;tert-butyl 4-[4-[3-bromo-5-[(3,4-difluorophenyl)methyl-ethylcarbamoyl]-2-pyridinyl]piperazin-1-yl]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 158874643
5-bromo-N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;tert-butyl N-[(2-chlorophenyl)methyl]-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-chlorobenzaldehyde;6-[(2-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;N-[(2-chlorophenyl)methyl]-6-fluoropyridin-2-amine;6-fluoropyridin-2-amine
CID 159307731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane?
The IUPAC name of 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane (CID 158583220) is 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane.
What is the SMILES notation for 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane?
The canonical SMILES for 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane is C.C.CC(C)(C)OC(=O)N(Cc1ccccc1F)c1ccc(C=O)cn1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Fc1ccccc1CNc1ccc(Br)cn1.Nc1ccc(Br)cn1.O=Cc1ccc(NCc2ccccc2F)nc1.O=Cc1ccccc1F.
What is the InChIKey of 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane?
The InChIKey is HTMUVWGSWNBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3.C13H11FN2O.C12H10BrFN2.C10H18O5.C7H5FO.C5H5BrN2.2CH4/c1-18(2,3)24-17(23)21(11-14-6-4-5-7-15(14)19)16-9-8-13(12-22)10-20-16;14-12-4-2-1-3-11(12)8-16-13-6-5-10(9-17)7-15-13;13-10-5-6-12(16-8-10)15-7-9-3-1-2-4-11(9)14;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;8-7-4-2-1-3-6(7)5-9;6-4-1-2-5(7)8-3-4;;/h4-10,12H,11H2,1-3H3;1-7,9H,8H2,(H,15,16);1-6,8H,7H2,(H,15,16);1-6H3;1-5H;1-3H,(H2,7,8);2*1H4.
What are the key properties of 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane?
5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane has a molecular weight of 1389.19 g/mol, XLogP of 17.43, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-fluorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(2-fluorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-fluorobenzaldehyde;6-[(2-fluorophenyl)methylamino]pyridine-3-carbaldehyde;methane is sourced from PubChem (CID 158583220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).