(4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate

C73H85Cl4F9N10O8 — CID 159892712

About (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate

(4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate (PubChem CID 159892712) has the molecular formula C73H85Cl4F9N10O8 and a molecular weight of 1543.34 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate.

Molecular Properties

• Compound Name: (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate
• PubChem CID: 159892712
• Molecular Formula: C73H85Cl4F9N10O8
• Molecular Weight: 1543.34 g/mol
• Exact Mass: 1540.52
• IUPAC Name: (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate
• SMILES: C.C.C.C.C.C.C.C.COC(=O)c1ccc(F)nc1F.COC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1F.Fc1cccc(F)n1.NCc1ccc(Cl)cc1.O=C(O)c1ccc(F)nc1F.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1F.OCc1ccc(NCc2ccc(Cl)cc2)nc1F
• InChI: InChI=1S/C14H12ClFN2O2.C13H12ClFN2O.C13H10ClFN2O.C7H8ClN.C7H5F2NO2.C6H3F2NO2.C5H3F2N.8CH4/c1-20-14(19)11-6-7-12(18-13(11)16)17-8-9-2-4-10(15)5-3-9;2*14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;8-7-3-1-6(5-9)2-4-7;1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;6-4-2-1-3-5(7)8-4;;;;;;;;/h2-7H,8H2,1H3,(H,17,18);1-6,18H,7-8H2,(H,16,17);1-6,8H,7H2,(H,16,17);1-4H,5,9H2;2-3H,1H3;1-2H,(H,10,11);1-3H;8*1H4
• InChIKey: NUYNXTHYJFUTQE-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 266.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1543.34
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate?

The IUPAC name of (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate (CID 159892712) is (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate.

What is the SMILES notation for (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate?

The canonical SMILES for (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate is C.C.C.C.C.C.C.C.COC(=O)c1ccc(F)nc1F.COC(=O)c1ccc(NCc2ccc(Cl)cc2)nc1F.Fc1cccc(F)n1.NCc1ccc(Cl)cc1.O=C(O)c1ccc(F)nc1F.O=Cc1ccc(NCc2ccc(Cl)cc2)nc1F.OCc1ccc(NCc2ccc(Cl)cc2)nc1F.

What is the InChIKey of (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate?

The InChIKey is NUYNXTHYJFUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2.C13H12ClFN2O.C13H10ClFN2O.C7H8ClN.C7H5F2NO2.C6H3F2NO2.C5H3F2N.8CH4/c1-20-14(19)11-6-7-12(18-13(11)16)17-8-9-2-4-10(15)5-3-9;2*14-11-4-1-9(2-5-11)7-16-12-6-3-10(8-18)13(15)17-12;8-7-3-1-6(5-9)2-4-7;1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;6-4-2-1-3-5(7)8-4;;;;;;;;/h2-7H,8H2,1H3,(H,17,18);1-6,18H,7-8H2,(H,16,17);1-6,8H,7H2,(H,16,17);1-4H,5,9H2;2-3H,1H3;1-2H,(H,10,11);1-3H;8*1H4.

What are the key properties of (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate?

(4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate has a molecular weight of 1543.34 g/mol, XLogP of 20.00, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)methanamine;6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carbaldehyde;[6-[(4-chlorophenyl)methylamino]-2-fluoro-3-pyridinyl]methanol;2,6-difluoropyridine;2,6-difluoropyridine-3-carboxylic acid;methane;methyl 6-[(4-chlorophenyl)methylamino]-2-fluoropyridine-3-carboxylate;methyl 2,6-difluoropyridine-3-carboxylate is sourced from PubChem (CID 159892712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).