2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C48H53BCl4N10O7S3 — CID 167671324

About 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 167671324) has the molecular formula C48H53BCl4N10O7S3 and a molecular weight of 1130.84 g/mol. Its IUPAC name is 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 167671324
• Molecular Formula: C48H53BCl4N10O7S3
• Molecular Weight: 1130.84 g/mol
• Exact Mass: 1128.21
• IUPAC Name: 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)s3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.ClCc1ccc(Cl)s1.Nc1ccc(Cc2ccc(Cl)s2)cn1
• InChI: InChI=1S/C16H15ClN4O2S.C11H17BN2O2.C10H9ClN2S.C6H8N2O3.C5H4Cl2S/c1-21-15(22)7-4-12(20-21)16(23)19-14-6-2-10(9-18-14)8-11-3-5-13(17)24-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;11-9-3-2-8(14-9)5-7-1-4-10(12)13-6-7;1-8-5(9)3-2-4(7-8)6(10)11;6-3-4-1-2-5(7)8-4/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,23);5-7H,1-4H3,(H2,13,14);1-4,6H,5H2,(H2,12,13);2-3H2,1H3,(H,10,11);1-2H,3H2
• InChIKey: UDQVCTKWCGZPTP-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 240.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.84
LogP ≤ 5	9.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 167671324) is 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.CN1N=C(C(=O)Nc2ccc(Cc3ccc(Cl)s3)cn2)CCC1=O.CN1N=C(C(=O)O)CCC1=O.ClCc1ccc(Cl)s1.Nc1ccc(Cc2ccc(Cl)s2)cn1.

What is the InChIKey of 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is UDQVCTKWCGZPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S.C11H17BN2O2.C10H9ClN2S.C6H8N2O3.C5H4Cl2S/c1-21-15(22)7-4-12(20-21)16(23)19-14-6-2-10(9-18-14)8-11-3-5-13(17)24-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;11-9-3-2-8(14-9)5-7-1-4-10(12)13-6-7;1-8-5(9)3-2-4(7-8)6(10)11;6-3-4-1-2-5(7)8-4/h2-3,5-6,9H,4,7-8H2,1H3,(H,18,19,23);5-7H,1-4H3,(H2,13,14);1-4,6H,5H2,(H2,12,13);2-3H2,1H3,(H,10,11);1-2H,3H2.

What are the key properties of 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1130.84 g/mol, XLogP of 9.69, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-(chloromethyl)thiophene;5-[(5-chlorothiophen-2-yl)methyl]pyridin-2-amine;N-[5-[(5-chlorothiophen-2-yl)methyl]-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 167671324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).