(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate

C75H94BCl3F3N11O9 — CID 158151455

About (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate

(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate (PubChem CID 158151455) has the molecular formula C75H94BCl3F3N11O9 and a molecular weight of 1467.81 g/mol. Its IUPAC name is (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate.

Molecular Properties

• Compound Name: (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate
• PubChem CID: 158151455
• Molecular Formula: C75H94BCl3F3N11O9
• Molecular Weight: 1467.81 g/mol
• Exact Mass: 1465.63
• IUPAC Name: (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate
• SMILES: C.C.C.C.C=C(C)c1cnc(-c2ccc(F)cc2)cc1Cl.C=C(C)c1cnc(-c2ccc(F)cc2)cc1Nc1ccncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.C[C@H](O)CCC(=O)c1cnccc1N.C[C@H](O)CN.OB(O)c1ccc(F)cc1
• InChI: InChI=1S/C23H23FN4O2.C14H11ClFN.C10H14N2O2.C8H7Cl2N.C7H8N2O2.C6H6BFO2.C3H9NO.4CH4/c1-14(2)18-13-26-21(16-4-6-17(24)7-5-16)10-22(18)28-20-8-9-25-12-19(20)23(30)27-11-15(3)29;1-9(2)12-8-17-14(7-13(12)15)10-3-5-11(16)6-4-10;1-7(13)2-3-10(14)8-6-12-5-4-9(8)11;1-5(2)6-4-11-8(10)3-7(6)9;1-11-7(10)5-4-9-3-2-6(5)8;8-6-3-1-5(2-4-6)7(9)10;1-3(5)2-4;;;;/h4-10,12-13,15,29H,1,11H2,2-3H3,(H,27,30)(H,25,26,28);3-8H,1H2,2H3;4-7,13H,2-3H2,1H3,(H2,11,12);3-4H,1H2,2H3;2-4H,1H3,(H2,8,9);1-4,9-10H;3,5H,2,4H2,1H3;4*1H4/t15-;;7-;;;;3-;;;;/m0.0...0..../s1
• InChIKey: FVDWTECBALJGTA-BIKCSWRTSA-N
• XLogP: 15.00
• TPSA: 341.05 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1467.81
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate?

The IUPAC name of (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate (CID 158151455) is (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate.

What is the SMILES notation for (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate?

The canonical SMILES for (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate is C.C.C.C.C=C(C)c1cnc(-c2ccc(F)cc2)cc1Cl.C=C(C)c1cnc(-c2ccc(F)cc2)cc1Nc1ccncc1C(=O)NC[C@H](C)O.C=C(C)c1cnc(Cl)cc1Cl.COC(=O)c1cnccc1N.C[C@H](O)CCC(=O)c1cnccc1N.C[C@H](O)CN.OB(O)c1ccc(F)cc1.

What is the InChIKey of (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate?

The InChIKey is FVDWTECBALJGTA-BIKCSWRTSA-N. The full InChI is InChI=1S/C23H23FN4O2.C14H11ClFN.C10H14N2O2.C8H7Cl2N.C7H8N2O2.C6H6BFO2.C3H9NO.4CH4/c1-14(2)18-13-26-21(16-4-6-17(24)7-5-16)10-22(18)28-20-8-9-25-12-19(20)23(30)27-11-15(3)29;1-9(2)12-8-17-14(7-13(12)15)10-3-5-11(16)6-4-10;1-7(13)2-3-10(14)8-6-12-5-4-9(8)11;1-5(2)6-4-11-8(10)3-7(6)9;1-11-7(10)5-4-9-3-2-6(5)8;8-6-3-1-5(2-4-6)7(9)10;1-3(5)2-4;;;;/h4-10,12-13,15,29H,1,11H2,2-3H3,(H,27,30)(H,25,26,28);3-8H,1H2,2H3;4-7,13H,2-3H2,1H3,(H2,11,12);3-4H,1H2,2H3;2-4H,1H3,(H2,8,9);1-4,9-10H;3,5H,2,4H2,1H3;4*1H4/t15-;;7-;;;;3-;;;;/m0.0...0..../s1.

What are the key properties of (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate?

(2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate has a molecular weight of 1467.81 g/mol, XLogP of 15.00, 17 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-aminopropan-2-ol;(4S)-1-(4-amino-3-pyridinyl)-4-hydroxypentan-1-one;4-chloro-2-(4-fluorophenyl)-5-prop-1-en-2-ylpyridine;2,4-dichloro-5-prop-1-en-2-ylpyridine;(4-fluorophenyl)boronic acid;4-[[2-(4-fluorophenyl)-5-prop-1-en-2-yl-4-pyridinyl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;methane;methyl 4-aminopyridine-3-carboxylate is sourced from PubChem (CID 158151455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).