(3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol

C152H144BrF12N7O32 — CID 157188291

About (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol

(3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol (PubChem CID 157188291) has the molecular formula C152H144BrF12N7O32 and a molecular weight of 2888.72 g/mol. Its IUPAC name is (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol.

Molecular Properties

• Compound Name: (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol
• PubChem CID: 157188291
• Molecular Formula: C152H144BrF12N7O32
• Molecular Weight: 2888.72 g/mol
• Exact Mass: 2885.88
• IUPAC Name: (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol
• SMILES: C.C=CCBr.C=CCn1cc(C(=O)CCc2ccc(F)cc2F)c(=O)c(OCc2ccccc2)c1C(=O)OC.COC(=O)c1[nH]cc(C(=O)CCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.COC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)CCc2ccc(F)cc2F)cn1CC=O.C[C@@H](N)CCO.O=C(CCc1ccc(F)cc1F)c1c[nH]c(CO)c(OCc2ccccc2)c1=O.O=C(O)c1[nH]cc(C(=O)CCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.O=Cc1[nH]cc(C(=O)CCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.OC1CCCO1
• InChI: InChI=1S/C26H23F2NO5.C25H21F2NO6.C23H19F2NO5.C22H17F2NO5.C22H19F2NO4.C22H17F2NO4.C4H11NO.C4H8O2.C3H5Br.CH4/c1-3-13-29-15-20(22(30)12-10-18-9-11-19(27)14-21(18)28)24(31)25(23(29)26(32)33-2)34-16-17-7-5-4-6-8-17;1-33-25(32)22-24(34-15-16-5-3-2-4-6-16)23(31)19(14-28(22)11-12-29)21(30)10-8-17-7-9-18(26)13-20(17)27;1-30-23(29)20-22(31-13-14-5-3-2-4-6-14)21(28)17(12-26-20)19(27)10-8-15-7-9-16(24)11-18(15)25;23-15-8-6-14(17(24)10-15)7-9-18(26)16-11-25-19(22(28)29)21(20(16)27)30-12-13-4-2-1-3-5-13;2*23-16-8-6-15(18(24)10-16)7-9-20(27)17-11-25-19(12-26)22(21(17)28)29-13-14-4-2-1-3-5-14;1-4(5)2-3-6;5-4-2-1-3-6-4;1-2-3-4;/h3-9,11,14-15H,1,10,12-13,16H2,2H3;2-7,9,12-14H,8,10-11,15H2,1H3;2-7,9,11-12H,8,10,13H2,1H3,(H,26,28);1-6,8,10-11H,7,9,12H2,(H,25,27)(H,28,29);1-6,8,10-11,26H,7,9,12-13H2,(H,25,28);1-6,8,10-12H,7,9,13H2,(H,25,28);4,6H,2-3,5H2,1H3;4-5H,1-3H2;2H,1,3H2;1H4/t;;;;;;4-;;;/m......1.../s1
• InChIKey: APJRIUUFQQCQNA-ANRQDWKASA-N
• XLogP: 25.01
• TPSA: 579.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 55
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2888.72
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol?

The IUPAC name of (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol (CID 157188291) is (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol.

What is the SMILES notation for (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol?

The canonical SMILES for (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol is C.C=CCBr.C=CCn1cc(C(=O)CCc2ccc(F)cc2F)c(=O)c(OCc2ccccc2)c1C(=O)OC.COC(=O)c1[nH]cc(C(=O)CCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.COC(=O)c1c(OCc2ccccc2)c(=O)c(C(=O)CCc2ccc(F)cc2F)cn1CC=O.C[C@@H](N)CCO.O=C(CCc1ccc(F)cc1F)c1c[nH]c(CO)c(OCc2ccccc2)c1=O.O=C(O)c1[nH]cc(C(=O)CCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.O=Cc1[nH]cc(C(=O)CCc2ccc(F)cc2F)c(=O)c1OCc1ccccc1.OC1CCCO1.

What is the InChIKey of (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol?

The InChIKey is APJRIUUFQQCQNA-ANRQDWKASA-N. The full InChI is InChI=1S/C26H23F2NO5.C25H21F2NO6.C23H19F2NO5.C22H17F2NO5.C22H19F2NO4.C22H17F2NO4.C4H11NO.C4H8O2.C3H5Br.CH4/c1-3-13-29-15-20(22(30)12-10-18-9-11-19(27)14-21(18)28)24(31)25(23(29)26(32)33-2)34-16-17-7-5-4-6-8-17;1-33-25(32)22-24(34-15-16-5-3-2-4-6-16)23(31)19(14-28(22)11-12-29)21(30)10-8-17-7-9-18(26)13-20(17)27;1-30-23(29)20-22(31-13-14-5-3-2-4-6-14)21(28)17(12-26-20)19(27)10-8-15-7-9-16(24)11-18(15)25;23-15-8-6-14(17(24)10-15)7-9-18(26)16-11-25-19(22(28)29)21(20(16)27)30-12-13-4-2-1-3-5-13;2*23-16-8-6-15(18(24)10-16)7-9-20(27)17-11-25-19(12-26)22(21(17)28)29-13-14-4-2-1-3-5-14;1-4(5)2-3-6;5-4-2-1-3-6-4;1-2-3-4;/h3-9,11,14-15H,1,10,12-13,16H2,2H3;2-7,9,12-14H,8,10-11,15H2,1H3;2-7,9,11-12H,8,10,13H2,1H3,(H,26,28);1-6,8,10-11H,7,9,12H2,(H,25,27)(H,28,29);1-6,8,10-11,26H,7,9,12-13H2,(H,25,28);1-6,8,10-12H,7,9,13H2,(H,25,28);4,6H,2-3,5H2,1H3;4-5H,1-3H2;2H,1,3H2;1H4/t;;;;;;4-;;;/m......1.../s1.

What are the key properties of (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol?

(3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol has a molecular weight of 2888.72 g/mol, XLogP of 25.01, 55 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-aminobutan-1-ol;3-bromoprop-1-ene;5-[3-(2,4-difluorophenyl)propanoyl]-2-(hydroxymethyl)-3-phenylmethoxy-1H-pyridin-4-one;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carbaldehyde;5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid;methane;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylate;methyl 5-[3-(2,4-difluorophenyl)propanoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate;oxolan-2-ol is sourced from PubChem (CID 157188291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).