tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one

C75H94Cl4N10O18S2 — CID 160723995

About tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one

tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one (PubChem CID 160723995) has the molecular formula C75H94Cl4N10O18S2 and a molecular weight of 1629.57 g/mol. Its IUPAC name is tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one
• PubChem CID: 160723995
• Molecular Formula: C75H94Cl4N10O18S2
• Molecular Weight: 1629.57 g/mol
• Exact Mass: 1626.49
• IUPAC Name: tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one
• SMILES: CC(C)(C)OC(=O)c1ccc(-n2cccc(O)c2=O)nc1Cl.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1.CC1(CCOS(C)(=O)=O)CC1.CC1(CCOc2cccn(-c3ccc(C(=O)O)c(Cl)n3)c2=O)CC1.Cc1ccc[nH]c1=O.O=c1[nH]cccc1O
• InChI: InChI=1S/C17H17ClN2O4.C15H15ClN2O4.C15H25N3O2S.C10H11Cl2NO2.C7H14O3S.C6H7NO.C5H5NO2/c1-17(6-7-17)8-10-24-12-3-2-9-20(15(12)21)13-5-4-11(16(22)23)14(18)19-13;1-15(2,3)22-14(21)9-6-7-11(17-12(9)16)18-8-4-5-10(19)13(18)20;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-7(3-4-7)5-6-10-11(2,8)9;1-5-3-2-4-7-6(5)8;7-4-2-1-3-6-5(4)8/h2-5,9H,6-8,10H2,1H3,(H,22,23);4-8,19H,1-3H3;3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-5H,1-3H3;3-6H2,1-2H3;2-4H,1H3,(H,7,8);1-3,7H,(H,6,8)/t;;12-;;;;/m..1..../s1
• InChIKey: RTLROLTVCVWGSR-FKVTVCMXSA-N
• XLogP: 13.71
• TPSA: 416.43 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1629.57
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one?

The IUPAC name of tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one (CID 160723995) is tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one.

What is the SMILES notation for tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one?

The canonical SMILES for tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one is CC(C)(C)OC(=O)c1ccc(-n2cccc(O)c2=O)nc1Cl.CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1.CC1(CCOS(C)(=O)=O)CC1.CC1(CCOc2cccn(-c3ccc(C(=O)O)c(Cl)n3)c2=O)CC1.Cc1ccc[nH]c1=O.O=c1[nH]cccc1O.

What is the InChIKey of tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one?

The InChIKey is RTLROLTVCVWGSR-FKVTVCMXSA-N. The full InChI is InChI=1S/C17H17ClN2O4.C15H15ClN2O4.C15H25N3O2S.C10H11Cl2NO2.C7H14O3S.C6H7NO.C5H5NO2/c1-17(6-7-17)8-10-24-12-3-2-9-20(15(12)21)13-5-4-11(16(22)23)14(18)19-13;1-15(2,3)22-14(21)9-6-7-11(17-12(9)16)18-8-4-5-10(19)13(18)20;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-10(2,3)15-9(14)6-4-5-7(11)13-8(6)12;1-7(3-4-7)5-6-10-11(2,8)9;1-5-3-2-4-7-6(5)8;7-4-2-1-3-6-5(4)8/h2-5,9H,6-8,10H2,1H3,(H,22,23);4-8,19H,1-3H3;3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-5H,1-3H3;3-6H2,1-2H3;2-4H,1H3,(H,7,8);1-3,7H,(H,6,8)/t;;12-;;;;/m..1..../s1.

What are the key properties of tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one?

tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one has a molecular weight of 1629.57 g/mol, XLogP of 13.71, 19 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-chloro-6-(3-hydroxy-2-oxo-1-pyridinyl)pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]-2-oxo-1-pyridinyl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;3-hydroxy-1H-pyridin-2-one;2-(1-methylcyclopropyl)ethyl methanesulfonate;3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 160723995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).