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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde

C67H58Br2F12N10O6 — CID 159239704

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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde (PubChem CID 159239704) has the molecular formula C67H58Br2F12N10O6 and a molecular weight of 1487.05 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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
• PubChem CID: 159239704
• Molecular Formula: C67H58Br2F12N10O6
• Molecular Weight: 1487.05 g/mol
• Exact Mass: 1484.27
• IUPAC Name: 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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde
• SMILES: CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.COc1ccnc2[nH]ccc12.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
• InChI: InChI=1S/C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C8H5F3O.C8H8N2O.C5H5BrN2/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;1-11-7-3-5-10-8-6(7)2-4-9-8;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;2-5H,1H3,(H,9,10);1-3H,(H2,7,8)
• InChIKey: KTXQZGJXKLUGAL-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 220.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1487.05
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde (CID 159239704) 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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde is CC(C)(C)OC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1.COc1ccnc2[nH]ccc12.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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde?

The InChIKey is KTXQZGJXKLUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3.C14H11F3N2O.C13H10BrF3N2.C8H5F3O.C8H8N2O.C5H5BrN2/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;1-11-7-3-5-10-8-6(7)2-4-9-8;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;2-5H,1H3,(H,9,10);1-3H,(H2,7,8).

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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde has a molecular weight of 1487.05 g/mol, XLogP of 18.37, 13 rotatable bonds, 4 hydrogen bond donors, and 14 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;4-methoxy-1H-pyrrolo[2,3-b]pyridine;4-(trifluoromethyl)benzaldehyde;6-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 159239704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).