sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide

C58H56Cl5F7N9NaO13 — CID 159119502

About sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide

sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide (PubChem CID 159119502) has the molecular formula C58H56Cl5F7N9NaO13 and a molecular weight of 1420.38 g/mol. Its IUPAC name is sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide
• PubChem CID: 159119502
• Molecular Formula: C58H56Cl5F7N9NaO13
• Molecular Weight: 1420.38 g/mol
• Exact Mass: 1417.22
• IUPAC Name: sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide
• SMILES: C.C.COC(=O)c1cc(F)c(C)nc1Cl.COC(=O)c1cc(F)c(Cl)nc1Cl.COC(=O)c1cnc(C)c(F)c1.Cc1ncc(C(=O)O)cc1F.Cc1ncc(N)cc1F.Cc1ncc(NC(=O)OCc2ccccc2)cc1F.O=C(O)c1cc(F)c(Cl)nc1Cl.[Na+].[OH-]
• InChI: InChI=1S/C14H13FN2O2.C8H7ClFNO2.C8H8FNO2.C7H4Cl2FNO2.C7H6FNO2.C6H2Cl2FNO2.C6H7FN2.2CH4.Na.H2O/c1-10-13(15)7-12(8-16-10)17-14(18)19-9-11-5-3-2-4-6-11;1-4-6(10)3-5(7(9)11-4)8(12)13-2;1-5-7(9)3-6(4-10-5)8(11)12-2;1-13-7(12)3-2-4(10)6(9)11-5(3)8;1-4-6(8)2-5(3-9-4)7(10)11;7-4-2(6(11)12)1-3(9)5(8)10-4;1-4-6(7)2-5(8)3-9-4;;;;/h2-8H,9H2,1H3,(H,17,18);3H,1-2H3;3-4H,1-2H3;2H,1H3;2-3H,1H3,(H,10,11);1H,(H,11,12);2-3H,8H2,1H3;2*1H4;;1H2/q;;;;;;;;;+1;/p-1
• InChIKey: KFMWKGWYASJRCL-UHFFFAOYSA-M
• XLogP: 11.54
• TPSA: 338.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.38
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide?

The IUPAC name of sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide (CID 159119502) is sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide.

What is the SMILES notation for sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide?

The canonical SMILES for sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide is C.C.COC(=O)c1cc(F)c(C)nc1Cl.COC(=O)c1cc(F)c(Cl)nc1Cl.COC(=O)c1cnc(C)c(F)c1.Cc1ncc(C(=O)O)cc1F.Cc1ncc(N)cc1F.Cc1ncc(NC(=O)OCc2ccccc2)cc1F.O=C(O)c1cc(F)c(Cl)nc1Cl.[Na+].[OH-].

What is the InChIKey of sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide?

The InChIKey is KFMWKGWYASJRCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13FN2O2.C8H7ClFNO2.C8H8FNO2.C7H4Cl2FNO2.C7H6FNO2.C6H2Cl2FNO2.C6H7FN2.2CH4.Na.H2O/c1-10-13(15)7-12(8-16-10)17-14(18)19-9-11-5-3-2-4-6-11;1-4-6(10)3-5(7(9)11-4)8(12)13-2;1-5-7(9)3-6(4-10-5)8(11)12-2;1-13-7(12)3-2-4(10)6(9)11-5(3)8;1-4-6(8)2-5(3-9-4)7(10)11;7-4-2(6(11)12)1-3(9)5(8)10-4;1-4-6(7)2-5(8)3-9-4;;;;/h2-8H,9H2,1H3,(H,17,18);3H,1-2H3;3-4H,1-2H3;2H,1H3;2-3H,1H3,(H,10,11);1H,(H,11,12);2-3H,8H2,1H3;2*1H4;;1H2/q;;;;;;;;;+1;/p-1.

What are the key properties of sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide?

sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide has a molecular weight of 1420.38 g/mol, XLogP of 11.54, 8 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;benzyl N-(5-fluoro-6-methyl-3-pyridinyl)carbamate;2,6-dichloro-5-fluoropyridine-3-carboxylic acid;5-fluoro-6-methylpyridin-3-amine;5-fluoro-6-methylpyridine-3-carboxylic acid;methane;methyl 2-chloro-5-fluoro-6-methylpyridine-3-carboxylate;methyl 2,6-dichloro-5-fluoropyridine-3-carboxylate;methyl 5-fluoro-6-methylpyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 159119502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).