4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate

C110H81Cl9F16N8O12 — CID 159827780

About 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate

4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate (PubChem CID 159827780) has the molecular formula C110H81Cl9F16N8O12 and a molecular weight of 2329.95 g/mol. Its IUPAC name is 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate
• PubChem CID: 159827780
• Molecular Formula: C110H81Cl9F16N8O12
• Molecular Weight: 2329.95 g/mol
• Exact Mass: 2324.29
• IUPAC Name: 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate
• SMILES: CC(C)OC(=O)c1cc(F)c(F)c(-c2ccccc2)n1.CF.CF.CF.Cc1ccc(-c2nc(C(=O)Cl)cc(Cl)c2Cl)cc1.Cc1ccc(-c2nc(C(=O)F)cc(F)c2F)cc1.Cc1ccc(-c2nc(C(=O)OC(C)C)cc(F)c2F)cc1.O=C(Cl)c1cc(Cl)c(Cl)c(-c2ccc(CO)cc2)n1.O=C(Cl)c1cc(Cl)c(Cl)c(-c2ccccc2)n1.O=C(F)c1cc(F)c(F)c(-c2ccc(CO)cc2)n1.O=C(F)c1cc(F)c(F)c(-c2ccccc2)n1
• InChI: InChI=1S/C16H15F2NO2.C15H13F2NO2.C13H8Cl3NO2.C13H8Cl3NO.C13H8F3NO2.C13H8F3NO.C12H6Cl3NO.C12H6F3NO.3CH3F/c1-9(2)21-16(20)13-8-12(17)14(18)15(19-13)11-6-4-10(3)5-7-11;1-9(2)20-15(19)12-8-11(16)13(17)14(18-12)10-6-4-3-5-7-10;14-9-5-10(13(16)19)17-12(11(9)15)8-3-1-7(6-18)2-4-8;1-7-2-4-8(5-3-7)12-11(15)9(14)6-10(17-12)13(16)18;14-9-5-10(13(16)19)17-12(11(9)15)8-3-1-7(6-18)2-4-8;1-7-2-4-8(5-3-7)12-11(15)9(14)6-10(17-12)13(16)18;2*13-8-6-9(12(15)17)16-11(10(8)14)7-4-2-1-3-5-7;3*1-2/h4-9H,1-3H3;3-9H,1-2H3;1-5,18H,6H2;2-6H,1H3;1-5,18H,6H2;2-6H,1H3;2*1-6H;3*1H3
• InChIKey: NNBIWYBLAHJMGH-UHFFFAOYSA-N
• XLogP: 31.56
• TPSA: 298.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2329.95
LogP ≤ 5	31.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate?

The IUPAC name of 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate (CID 159827780) is 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate.

What is the SMILES notation for 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate?

The canonical SMILES for 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate is CC(C)OC(=O)c1cc(F)c(F)c(-c2ccccc2)n1.CF.CF.CF.Cc1ccc(-c2nc(C(=O)Cl)cc(Cl)c2Cl)cc1.Cc1ccc(-c2nc(C(=O)F)cc(F)c2F)cc1.Cc1ccc(-c2nc(C(=O)OC(C)C)cc(F)c2F)cc1.O=C(Cl)c1cc(Cl)c(Cl)c(-c2ccc(CO)cc2)n1.O=C(Cl)c1cc(Cl)c(Cl)c(-c2ccccc2)n1.O=C(F)c1cc(F)c(F)c(-c2ccc(CO)cc2)n1.O=C(F)c1cc(F)c(F)c(-c2ccccc2)n1.

What is the InChIKey of 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate?

The InChIKey is NNBIWYBLAHJMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2.C15H13F2NO2.C13H8Cl3NO2.C13H8Cl3NO.C13H8F3NO2.C13H8F3NO.C12H6Cl3NO.C12H6F3NO.3CH3F/c1-9(2)21-16(20)13-8-12(17)14(18)15(19-13)11-6-4-10(3)5-7-11;1-9(2)20-15(19)12-8-11(16)13(17)14(18-12)10-6-4-3-5-7-10;14-9-5-10(13(16)19)17-12(11(9)15)8-3-1-7(6-18)2-4-8;1-7-2-4-8(5-3-7)12-11(15)9(14)6-10(17-12)13(16)18;14-9-5-10(13(16)19)17-12(11(9)15)8-3-1-7(6-18)2-4-8;1-7-2-4-8(5-3-7)12-11(15)9(14)6-10(17-12)13(16)18;2*13-8-6-9(12(15)17)16-11(10(8)14)7-4-2-1-3-5-7;3*1-2/h4-9H,1-3H3;3-9H,1-2H3;1-5,18H,6H2;2-6H,1H3;1-5,18H,6H2;2-6H,1H3;2*1-6H;3*1H3.

What are the key properties of 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate?

4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate has a molecular weight of 2329.95 g/mol, XLogP of 31.56, 20 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 159827780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).