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

C61H58Br2F12N8O5 — CID 158363593

IUPAC5-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
SMILESC.C.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1.Nc1ccc(Br)cn1.O=Cc1ccc(C(F)(F)F)cc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C8H5F3O.C5H5BrN2.2CH4/c1-18(2,3)27-17(26)24(16-9-6-14(12-25)10-23-16)11-13-4-7-15(8-5-13)19(20,21)22;15-14(16,17)12-4-1-10(2-5-12)7-18-13-6-3-11(9-20)8-19-13;14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;9-8(10,11)7-3-1-6(5-12)2-4-7;6-4-1-2-5(7)8-3-4;;/h4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,18,19);1-6,8H,7H2,(H,18,19);1-5H;1-3H,(H2,7,8);2*1H4
InChIKeyGTTKPHXHWLKXRP-UHFFFAOYSA-N
MW1370.97 g/mol
LogP18.07
Rot. Bonds12

About 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

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 (PubChem CID 158363593) has the molecular formula C61H58Br2F12N8O5 and a molecular weight of 1370.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158363593
Molecular FormulaC61H58Br2F12N8O5
Molecular Weight1370.97 g/mol
Exact Mass1368.27
IUPAC Name5-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
SMILESC.C.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1.Nc1ccc(Br)cn1.O=Cc1ccc(C(F)(F)F)cc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C8H5F3O.C5H5BrN2.2CH4/c1-18(2,3)27-17(26)24(16-9-6-14(12-25)10-23-16)11-13-4-7-15(8-5-13)19(20,21)22;15-14(16,17)12-4-1-10(2-5-12)7-18-13-6-3-11(9-20)8-19-13;14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;9-8(10,11)7-3-1-6(5-12)2-4-7;6-4-1-2-5(7)8-3-4;;/h4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,18,19);1-6,8H,7H2,(H,18,19);1-5H;1-3H,(H2,7,8);2*1H4
InChIKeyGTTKPHXHWLKXRP-UHFFFAOYSA-N
XLogP18.07
TPSA182.39 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001370.97
LogP ≤ 518.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
2-amino-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-[4-(aminomethyl)phenyl]-3-methylpyridin-2-amine;2-[[4-(6-amino-5-methyl-3-pyridinyl)phenyl]methylamino]-N-[(3,4-difluorophenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-bromo-3-methylpyridin-2-amine;N-[(3,4-difluorophenyl)methyl]-2-fluoro-5-(trifluoromethyl)pyridine-3-carboxamide;[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride
CID 160291904
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;tert-butyl N-[6-methyl-5-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;methane;6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine;2-methyl-6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde
CID 160423036
5-bromo-4-(trifluoromethyl)pyridin-2-amine;N-[5-bromo-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;dichloromethane;N-[5-formyl-4-(trifluoromethyl)-2-pyridinyl]-2,2-dimethylpropanamide;oxolane;4-(trifluoromethyl)pyridin-2-amine
CID 160549452
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
N-[3-(dimethylamino)propyl]-6-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide;N-(3-ethoxypropyl)-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 160686498
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
6-bromo-4,4-difluoro-2,3-dihydro-1H-1,8-naphthyridine;6-bromo-4,4-difluoro-2,3-dihydro-1,8-naphthyridine-1-carboxamide;6-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-one;tert-butyl 6-bromo-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 6-bromo-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate;4,4-difluoro-6-pyridin-3-yl-2,3-dihydro-1,8-naphthyridine-1-carboxamide;N-ethyl-N-(trifluoro-lambda4-sulfanyl)ethanamine;N-oxobenzamide;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 162279756
6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide;N-(3-phenylpropyl)-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 161340266
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
N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 157503736

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.FC(F)(F)c1ccc(CNc2ccc(Br)cn2)cc1.Nc1ccc(Br)cn1.O=Cc1ccc(C(F)(F)F)cc1.O=Cc1ccc(NCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 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?
The InChIKey is GTTKPHXHWLKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C8H5F3O.C5H5BrN2.2CH4/c1-18(2,3)27-17(26)24(16-9-6-14(12-25)10-23-16)11-13-4-7-15(8-5-13)19(20,21)22;15-14(16,17)12-4-1-10(2-5-12)7-18-13-6-3-11(9-20)8-19-13;14-11-5-6-12(19-8-11)18-7-9-1-3-10(4-2-9)13(15,16)17;9-8(10,11)7-3-1-6(5-12)2-4-7;6-4-1-2-5(7)8-3-4;;/h4-10,12H,11H2,1-3H3;1-6,8-9H,7H2,(H,18,19);1-6,8H,7H2,(H,18,19);1-5H;1-3H,(H2,7,8);2*1H4.
What are the key properties of 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?
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 has a molecular weight of 1370.97 g/mol, XLogP of 18.07, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158363593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).