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

C77H75BrCl5F5N10O10 — CID 159307731

IUPAC5-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
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1Cl)c1ccc(C=O)c(F)n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Fc1cccc(NCc2ccccc2Cl)n1.Fc1nc(NCc2ccccc2Cl)ccc1Br.Nc1cccc(F)n1.O=Cc1ccc(NCc2ccccc2Cl)nc1F.O=Cc1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O3.C13H10ClFN2O.C12H9BrClFN2.C12H10ClFN2.C10H18O5.C7H5ClO.C5H5FN2/c1-18(2,3)25-17(24)22(10-12-6-4-5-7-14(12)19)15-9-8-13(11-23)16(20)21-15;14-11-4-2-1-3-9(11)7-16-12-6-5-10(8-18)13(15)17-12;13-9-5-6-11(17-12(9)15)16-7-8-3-1-2-4-10(8)14;13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(14)16-12;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;6-4-2-1-3-5(7)8-4/h4-9,11H,10H2,1-3H3;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-6H3;1-5H;1-3H,(H2,7,8)
InChIKeyLCDARHCEDFZLKV-UHFFFAOYSA-N
MW1652.67 g/mol
LogP21.49
Rot. Bonds15

About 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

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 (PubChem CID 159307731) has the molecular formula C77H75BrCl5F5N10O10 and a molecular weight of 1652.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159307731
Molecular FormulaC77H75BrCl5F5N10O10
Molecular Weight1652.67 g/mol
Exact Mass1648.32
IUPAC Name5-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
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1Cl)c1ccc(C=O)c(F)n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Fc1cccc(NCc2ccccc2Cl)n1.Fc1nc(NCc2ccccc2Cl)ccc1Br.Nc1cccc(F)n1.O=Cc1ccc(NCc2ccccc2Cl)nc1F.O=Cc1ccccc1Cl
InChIInChI=1S/C18H18ClFN2O3.C13H10ClFN2O.C12H9BrClFN2.C12H10ClFN2.C10H18O5.C7H5ClO.C5H5FN2/c1-18(2,3)25-17(24)22(10-12-6-4-5-7-14(12)19)15-9-8-13(11-23)16(20)21-15;14-11-4-2-1-3-9(11)7-16-12-6-5-10(8-18)13(15)17-12;13-9-5-6-11(17-12(9)15)16-7-8-3-1-2-4-10(8)14;13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(14)16-12;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;6-4-2-1-3-5(7)8-4/h4-9,11H,10H2,1-3H3;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-6H3;1-5H;1-3H,(H2,7,8)
InChIKeyLCDARHCEDFZLKV-UHFFFAOYSA-N
XLogP21.49
TPSA269.14 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.67
LogP ≤ 521.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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-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-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
5-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chlorobenzaldehyde;6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde
CID 159520074
5-bromo-6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;4-chlorobenzaldehyde;2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde;6-chloro-N-[(4-chlorophenyl)methyl]pyridin-2-amine;6-chloropyridin-2-amine
CID 159944810
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
CID 161638243
5-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-bromopyridin-2-amine;tert-butyl N-[(4-chlorophenyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;4-chlorobenzaldehyde;6-[(4-chlorophenyl)methylamino]pyridine-3-carbaldehyde
CID 162052124

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N(Cc1ccccc1Cl)c1ccc(C=O)c(F)n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Fc1cccc(NCc2ccccc2Cl)n1.Fc1nc(NCc2ccccc2Cl)ccc1Br.Nc1cccc(F)n1.O=Cc1ccc(NCc2ccccc2Cl)nc1F.O=Cc1ccccc1Cl.
What is the InChIKey of 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?
The InChIKey is LCDARHCEDFZLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3.C13H10ClFN2O.C12H9BrClFN2.C12H10ClFN2.C10H18O5.C7H5ClO.C5H5FN2/c1-18(2,3)25-17(24)22(10-12-6-4-5-7-14(12)19)15-9-8-13(11-23)16(20)21-15;14-11-4-2-1-3-9(11)7-16-12-6-5-10(8-18)13(15)17-12;13-9-5-6-11(17-12(9)15)16-7-8-3-1-2-4-10(8)14;13-10-5-2-1-4-9(10)8-15-12-7-3-6-11(14)16-12;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;6-4-2-1-3-5(7)8-4/h4-9,11H,10H2,1-3H3;1-6,8H,7H2,(H,16,17);1-6H,7H2,(H,16,17);1-7H,8H2,(H,15,16);1-6H3;1-5H;1-3H,(H2,7,8).
What are the key properties of 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?
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 has a molecular weight of 1652.67 g/mol, XLogP of 21.49, 15 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159307731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).