2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane — IUPAC name, SMILES, InChIKey & properties

Name: 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane

2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane (PubChem CID 164977537) has the molecular formula C114H122Br3IN14O8S6Sn2 and a molecular weight of 2612.76 g/mol. Its IUPAC name is 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane.

Molecular Properties

Compound Name	2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane
PubChem CID	164977537
Molecular Formula	C114H122Br3IN14O8S6Sn2
Molecular Weight	2612.76 g/mol
Exact Mass	2610.25
IUPAC Name	2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane
SMILES	Brc1cc(-c2nccs2)ccn1.Brc1cc(-c2nccs2)ccn1.Brc1cc(I)ccn1.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.CCCC[Sn](CCCC)(CCCC)c1nccs1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-c3nccs3)ccn1)n2S(=O)(=O)c1ccccc1
InChI	InChI=1S/C37H29N5O4S2.C29H24N3O4S.2C8H5BrN2S.C5H3BrIN.6C4H9.C3H2NS.2Sn/c1-46-37(43)31-23-40-35(41(24-26-11-5-2-6-12-26)25-27-13-7-3-8-14-27)34-30(31)22-33(42(34)48(44,45)29-15-9-4-10-16-29)32-21-28(17-18-38-32)36-39-19-20-47-36;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;29-7-5-6(1-2-10-7)8-11-3-4-12-8;6-5-3-4(7)1-2-8-5;61-3-4-2;1-2-5-3-4-1;;/h2-23H,24-25H2,1H3;2-17,19H,20-21H2,1H3;21-5H;1-3H;61,3-4H2,2H3;1-2H;;
InChIKey	DZSPYHJJFWAQIZ-UHFFFAOYSA-N
XLogP	30.36
TPSA	266.12 Å²
H-Bond Donors
H-Bond Acceptors	26
Rotatable Bonds	40
Heavy Atoms	148
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2612.76
LogP ≤ 5	30.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Analyze 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

The IUPAC name of 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane (CID 164977537) is 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane.

What is the SMILES notation for 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

The canonical SMILES for 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane is Brc1cc(-c2nccs2)ccn1.Brc1cc(-c2nccs2)ccn1.Brc1cc(I)ccn1.CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.CCCC[Sn](CCCC)(CCCC)c1nccs1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-c3nccs3)ccn1)n2S(=O)(=O)c1ccccc1.

What is the InChIKey of 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

The InChIKey is DZSPYHJJFWAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N5O4S2.C29H24N3O4S.2C8H5BrN2S.C5H3BrIN.6C4H9.C3H2NS.2Sn/c1-46-37(43)31-23-40-35(41(24-26-11-5-2-6-12-26)25-27-13-7-3-8-14-27)34-30(31)22-33(42(34)48(44,45)29-15-9-4-10-16-29)32-21-28(17-18-38-32)36-39-19-20-47-36;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;2*9-7-5-6(1-2-10-7)8-11-3-4-12-8;6-5-3-4(7)1-2-8-5;6*1-3-4-2;1-2-5-3-4-1;;/h2-23H,24-25H2,1H3;2-17,19H,20-21H2,1H3;2*1-5H;1-3H;6*1,3-4H2,2H3;1-2H;;.

What are the key properties of 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane?

Where does this data come from?

All data for 2-bromo-4-iodopyridine;bis(2-(2-bromo-4-pyridinyl)-1,3-thiazole);methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate;tributyl(1,3-thiazol-2-yl)stannane is sourced from PubChem (CID 164977537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).