(2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol

C73H104Br2Cl2N16O6+2 — CID 158935779

About (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol

(2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol (PubChem CID 158935779) has the molecular formula C73H104Br2Cl2N16O6+2 and a molecular weight of 1532.45 g/mol. Its IUPAC name is (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol
• PubChem CID: 158935779
• Molecular Formula: C73H104Br2Cl2N16O6+2
• Molecular Weight: 1532.45 g/mol
• Exact Mass: 1528.61
• IUPAC Name: (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol
• SMILES: C.C.CC1CC(Br)C1.CC1CC(O)C1.CCOC(=O)c1cc(C2CC(C)C2)c(C)cn1.C[C@H](CO)[n+]1[nH]nnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nn[nH][n+]3[C@H](C)CO)n2)cc1C1CC(C)C1.Cc1cnc(Cl)cc1Br.Cc1cnc(Cl)cc1C1CC(C)C1
• InChI: InChI=1S/C21H25N7O2.C14H19NO2.C11H14ClN.C9H12N6O.C6H5BrClN.C5H9Br.C5H10O.2CH4/c1-12-7-15(8-12)16-9-18(22-10-13(16)2)21(30)24-19-6-4-5-17(23-19)20-25-26-27-28(20)14(3)11-29;1-4-17-14(16)13-7-12(10(3)8-15-13)11-5-9(2)6-11;1-7-3-9(4-7)10-5-11(12)13-6-8(10)2;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7;1-4-3-9-6(8)2-5(4)7;2*1-4-2-5(6)3-4;;/h4-6,9-10,12,14-15,29H,7-8,11H2,1-3H3,(H,23,24,30);7-9,11H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;2-4,6,16H,5H2,1H3,(H2,10,11);2-3H,1H3;4-5H,2-3H2,1H3;4-6H,2-3H2,1H3;2*1H4/p+2/t12?,14-,15?;;;6-;;;;;/m1..1...../s1
• InChIKey: KEPQDQGYDFFUFD-PXEIWKAOSA-P
• XLogP: 15.14
• TPSA: 310.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1532.45
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol?

The IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol (CID 158935779) is (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol.

What is the SMILES notation for (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol?

The canonical SMILES for (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol is C.C.CC1CC(Br)C1.CC1CC(O)C1.CCOC(=O)c1cc(C2CC(C)C2)c(C)cn1.C[C@H](CO)[n+]1[nH]nnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nn[nH][n+]3[C@H](C)CO)n2)cc1C1CC(C)C1.Cc1cnc(Cl)cc1Br.Cc1cnc(Cl)cc1C1CC(C)C1.

What is the InChIKey of (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol?

The InChIKey is KEPQDQGYDFFUFD-PXEIWKAOSA-P. The full InChI is InChI=1S/C21H25N7O2.C14H19NO2.C11H14ClN.C9H12N6O.C6H5BrClN.C5H9Br.C5H10O.2CH4/c1-12-7-15(8-12)16-9-18(22-10-13(16)2)21(30)24-19-6-4-5-17(23-19)20-25-26-27-28(20)14(3)11-29;1-4-17-14(16)13-7-12(10(3)8-15-13)11-5-9(2)6-11;1-7-3-9(4-7)10-5-11(12)13-6-8(10)2;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7;1-4-3-9-6(8)2-5(4)7;2*1-4-2-5(6)3-4;;/h4-6,9-10,12,14-15,29H,7-8,11H2,1-3H3,(H,23,24,30);7-9,11H,4-6H2,1-3H3;5-7,9H,3-4H2,1-2H3;2-4,6,16H,5H2,1H3,(H2,10,11);2-3H,1H3;4-5H,2-3H2,1H3;4-6H,2-3H2,1H3;2*1H4/p+2/t12?,14-,15?;;;6-;;;;;/m1..1...../s1.

What are the key properties of (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol?

(2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol has a molecular weight of 1532.45 g/mol, XLogP of 15.14, 13 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[5-(6-amino-2-pyridinyl)-2H-tetrazol-1-ium-1-yl]propan-1-ol;4-bromo-2-chloro-5-methylpyridine;1-bromo-3-methylcyclobutane;2-chloro-5-methyl-4-(3-methylcyclobutyl)pyridine;ethyl 5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxylate;N-[6-[1-[(2R)-1-hydroxypropan-2-yl]-2H-tetrazol-1-ium-5-yl]-2-pyridinyl]-5-methyl-4-(3-methylcyclobutyl)pyridine-2-carboxamide;methane;3-methylcyclobutan-1-ol is sourced from PubChem (CID 158935779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).