4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane

C53H63Cl8F3N10O9 — CID 165009069

About 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane

4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane (PubChem CID 165009069) has the molecular formula C53H63Cl8F3N10O9 and a molecular weight of 1324.77 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane.

Molecular Properties

• Compound Name: 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane
• PubChem CID: 165009069
• Molecular Formula: C53H63Cl8F3N10O9
• Molecular Weight: 1324.77 g/mol
• Exact Mass: 1320.22
• IUPAC Name: 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane
• SMILES: C.C.C.C.C.C.C.C.Cc1nccc(Cl)c1Cl.Clc1ccncc1Cl.Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Nc1nccc(Oc2ccc([N+](=O)[O-])cc2F)c1Cl.O=COc1nccc(Cl)c1Cl.O=[N+]([O-])c1ccc(O)c(F)c1
• InChI: InChI=1S/C11H7ClFN3O3.C11H9ClFN3O.C6H3Cl2NO2.C6H5Cl2N.C6H4FNO3.C5H3Cl2N.8CH4/c12-10-9(3-4-15-11(10)14)19-8-2-1-6(16(17)18)5-7(8)13;12-10-9(3-4-16-11(10)15)17-8-2-1-6(14)5-7(8)13;7-4-1-2-9-6(5(4)8)11-3-10;1-4-6(8)5(7)2-3-9-4;7-5-3-4(8(10)11)1-2-6(5)9;6-4-1-2-8-3-5(4)7;;;;;;;;/h1-5H,(H2,14,15);1-5H,14H2,(H2,15,16);1-3H;2-3H,1H3;1-3,9H;1-3H;8*1H4
• InChIKey: JKMCSUDCNZVICQ-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 293.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1324.77
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane?

The IUPAC name of 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane (CID 165009069) is 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane.

What is the SMILES notation for 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane?

The canonical SMILES for 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane is C.C.C.C.C.C.C.C.Cc1nccc(Cl)c1Cl.Clc1ccncc1Cl.Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1.Nc1nccc(Oc2ccc([N+](=O)[O-])cc2F)c1Cl.O=COc1nccc(Cl)c1Cl.O=[N+]([O-])c1ccc(O)c(F)c1.

What is the InChIKey of 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane?

The InChIKey is JKMCSUDCNZVICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3O3.C11H9ClFN3O.C6H3Cl2NO2.C6H5Cl2N.C6H4FNO3.C5H3Cl2N.8CH4/c12-10-9(3-4-15-11(10)14)19-8-2-1-6(16(17)18)5-7(8)13;12-10-9(3-4-16-11(10)15)17-8-2-1-6(14)5-7(8)13;7-4-1-2-9-6(5(4)8)11-3-10;1-4-6(8)5(7)2-3-9-4;7-5-3-4(8(10)11)1-2-6(5)9;6-4-1-2-8-3-5(4)7;;;;;;;;/h1-5H,(H2,14,15);1-5H,14H2,(H2,15,16);1-3H;2-3H,1H3;1-3,9H;1-3H;8*1H4.

What are the key properties of 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane?

4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane has a molecular weight of 1324.77 g/mol, XLogP of 19.52, 8 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-2-fluorophenoxy)-3-chloropyridin-2-amine;3-chloro-4-(2-fluoro-4-nitrophenoxy)pyridin-2-amine;3,4-dichloro-2-methylpyridine;3,4-dichloropyridine;(3,4-dichloro-2-pyridinyl) formate;2-fluoro-4-nitrophenol;methane is sourced from PubChem (CID 165009069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).