2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole

C115H116Cl2I3N21O8S2Sn — CID 160627795

About 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole

2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole (PubChem CID 160627795) has the molecular formula C115H116Cl2I3N21O8S2Sn and a molecular weight of 2554.79 g/mol. Its IUPAC name is 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole.

Molecular Properties

• Compound Name: 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole
• PubChem CID: 160627795
• Molecular Formula: C115H116Cl2I3N21O8S2Sn
• Molecular Weight: 2554.79 g/mol
• Exact Mass: 2553.43
• IUPAC Name: 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-n3ccc(C)n3)ccn1)n2S(=O)(=O)c1ccccc1.Cc1ccn(-c2ccnc(Cl)c2)n1.Cc1ccn(-c2ccnc(I)c2)n1.Cc1ccn(-c2ccnc(I)c2)n1.Cc1ccn[nH]1.Clc1cc(I)ccn1
• InChI: InChI=1S/C38H32N6O4S.C29H24N3O4S.C9H8ClN3.2C9H8IN3.C5H3ClIN.C4H6N2.3C4H9.Sn/c1-27-19-21-43(41-27)30-18-20-39-34(22-30)35-23-32-33(38(45)48-2)24-40-37(36(32)44(35)49(46,47)31-16-10-5-11-17-31)42(25-28-12-6-3-7-13-28)26-29-14-8-4-9-15-29;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;3*1-7-3-5-13(12-7)8-2-4-11-9(10)6-8;6-5-3-4(7)1-2-8-5;1-4-2-3-5-6-4;3*1-3-4-2;/h3-24H,25-26H2,1-2H3;2-17,19H,20-21H2,1H3;3*2-6H,1H3;1-3H;2-3H,1H3,(H,5,6);3*1,3-4H2,2H3
• InChIKey: RHNMWLTVRKYAGX-UHFFFAOYSA-N
• XLogP: 25.79
• TPSA: 327.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2554.79
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole?

The IUPAC name of 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole (CID 160627795) is 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole.

What is the SMILES notation for 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole?

The canonical SMILES for 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole is CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-n3ccc(C)n3)ccn1)n2S(=O)(=O)c1ccccc1.Cc1ccn(-c2ccnc(Cl)c2)n1.Cc1ccn(-c2ccnc(I)c2)n1.Cc1ccn(-c2ccnc(I)c2)n1.Cc1ccn[nH]1.Clc1cc(I)ccn1.

What is the InChIKey of 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole?

The InChIKey is RHNMWLTVRKYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N6O4S.C29H24N3O4S.C9H8ClN3.2C9H8IN3.C5H3ClIN.C4H6N2.3C4H9.Sn/c1-27-19-21-43(41-27)30-18-20-39-34(22-30)35-23-32-33(38(45)48-2)24-40-37(36(32)44(35)49(46,47)31-16-10-5-11-17-31)42(25-28-12-6-3-7-13-28)26-29-14-8-4-9-15-29;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;3*1-7-3-5-13(12-7)8-2-4-11-9(10)6-8;6-5-3-4(7)1-2-8-5;1-4-2-3-5-6-4;3*1-3-4-2;/h3-24H,25-26H2,1-2H3;2-17,19H,20-21H2,1H3;3*2-6H,1H3;1-3H;2-3H,1H3,(H,5,6);3*1,3-4H2,2H3;.

What are the key properties of 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole?

2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole has a molecular weight of 2554.79 g/mol, XLogP of 25.79, 31 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-iodopyridine;2-chloro-4-(3-methylpyrazol-1-yl)pyridine;bis(2-iodo-4-(3-methylpyrazol-1-yl)pyridine);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;5-methyl-1H-pyrazole is sourced from PubChem (CID 160627795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).