5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride

C64H42Cl9F16N9O12 — CID 162052565

About 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride

5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride (PubChem CID 162052565) has the molecular formula C64H42Cl9F16N9O12 and a molecular weight of 1752.14 g/mol. Its IUPAC name is 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride.

Molecular Properties

• Compound Name: 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride
• PubChem CID: 162052565
• Molecular Formula: C64H42Cl9F16N9O12
• Molecular Weight: 1752.14 g/mol
• Exact Mass: 1746.99
• IUPAC Name: 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride
• SMILES: CC(C)OC(=O)c1cc(F)c(F)c(F)n1.CC(C)OC(=O)c1ccc(F)cn1.CC(C)OC(=O)c1nc(F)ccc1F.CF.O=C(Cl)c1cc(Cl)c(Cl)c(Cl)n1.O=C(Cl)c1ccc(Cl)cn1.O=C(Cl)c1nc(Cl)ccc1Cl.O=C(F)c1cc(F)c(F)c(F)n1.O=C(F)c1ccc(F)cn1.O=C(F)c1nc(F)ccc1F
• InChI: InChI=1S/C9H8F3NO2.C9H9F2NO2.C9H10FNO2.C6HCl4NO.C6H2Cl3NO.C6H3Cl2NO.C6HF4NO.C6H2F3NO.C6H3F2NO.CH3F/c1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-5(2)14-9(13)8-6(10)3-4-7(11)12-8;1-6(2)13-9(12)8-4-3-7(10)5-11-8;7-2-1-3(6(10)12)11-5(9)4(2)8;7-3-1-2-4(8)10-5(3)6(9)11;7-4-1-2-5(6(8)10)9-3-4;7-2-1-3(6(10)12)11-5(9)4(2)8;7-3-1-2-4(8)10-5(3)6(9)11;7-4-1-2-5(6(8)10)9-3-4;1-2/h3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;1H;1-2H;1-3H;1H;1-2H;1-3H;1H3
• InChIKey: YYSVSXYROIOEON-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 297.33 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.14
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride?

The IUPAC name of 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride (CID 162052565) is 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride.

What is the SMILES notation for 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride?

The canonical SMILES for 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride is CC(C)OC(=O)c1cc(F)c(F)c(F)n1.CC(C)OC(=O)c1ccc(F)cn1.CC(C)OC(=O)c1nc(F)ccc1F.CF.O=C(Cl)c1cc(Cl)c(Cl)c(Cl)n1.O=C(Cl)c1ccc(Cl)cn1.O=C(Cl)c1nc(Cl)ccc1Cl.O=C(F)c1cc(F)c(F)c(F)n1.O=C(F)c1ccc(F)cn1.O=C(F)c1nc(F)ccc1F.

What is the InChIKey of 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride?

The InChIKey is YYSVSXYROIOEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2.C9H9F2NO2.C9H10FNO2.C6HCl4NO.C6H2Cl3NO.C6H3Cl2NO.C6HF4NO.C6H2F3NO.C6H3F2NO.CH3F/c1-4(2)15-9(14)6-3-5(10)7(11)8(12)13-6;1-5(2)14-9(13)8-6(10)3-4-7(11)12-8;1-6(2)13-9(12)8-4-3-7(10)5-11-8;7-2-1-3(6(10)12)11-5(9)4(2)8;7-3-1-2-4(8)10-5(3)6(9)11;7-4-1-2-5(6(8)10)9-3-4;7-2-1-3(6(10)12)11-5(9)4(2)8;7-3-1-2-4(8)10-5(3)6(9)11;7-4-1-2-5(6(8)10)9-3-4;1-2/h3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;1H;1-2H;1-3H;1H;1-2H;1-3H;1H3.

What are the key properties of 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride?

5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride has a molecular weight of 1752.14 g/mol, XLogP of 19.07, 12 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloropyridine-2-carbonyl chloride;3,6-dichloropyridine-2-carbonyl chloride;3,6-difluoropyridine-2-carbonyl fluoride;fluoromethane;5-fluoropyridine-2-carbonyl fluoride;propan-2-yl 3,6-difluoropyridine-2-carboxylate;propan-2-yl 5-fluoropyridine-2-carboxylate;propan-2-yl 4,5,6-trifluoropyridine-2-carboxylate;4,5,6-trichloropyridine-2-carbonyl chloride;4,5,6-trifluoropyridine-2-carbonyl fluoride is sourced from PubChem (CID 162052565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).