2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine

C56H62Cl2IN11O6S2 — CID 159741633

About 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine

2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine (PubChem CID 159741633) has the molecular formula C56H62Cl2IN11O6S2 and a molecular weight of 1247.13 g/mol. Its IUPAC name is 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

• Compound Name: 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine
• PubChem CID: 159741633
• Molecular Formula: C56H62Cl2IN11O6S2
• Molecular Weight: 1247.13 g/mol
• Exact Mass: 1245.27
• IUPAC Name: 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine
• SMILES: COc1ccc(=O)[nH]c1.COc1ccc(=O)n(-c2ccc(C[C@H]3CC[C@H](Cc4ncc(SC)cn4)C3)nc2)c1.COc1ccc(=O)n(-c2ccc(Cl)nc2)c1.CSc1cnc(C[C@H]2CC[C@H](N)C2)nc1.Clc1ccc(I)cn1
• InChI: InChI=1S/C23H26N4O2S.C11H9ClN2O2.C11H17N3S.C6H7NO2.C5H3ClIN/c1-29-20-7-8-23(28)27(15-20)19-6-5-18(24-12-19)10-16-3-4-17(9-16)11-22-25-13-21(30-2)14-26-22;1-16-9-3-5-11(15)14(7-9)8-2-4-10(12)13-6-8;1-15-10-6-13-11(14-7-10)5-8-2-3-9(12)4-8;1-9-5-2-3-6(8)7-4-5;6-5-2-1-4(7)3-8-5/h5-8,12-17H,3-4,9-11H2,1-2H3;2-7H,1H3;6-9H,2-5,12H2,1H3;2-4H,1H3,(H,7,8);1-3H/t16-,17-;;8-,9-;;/m0.0../s1
• InChIKey: NCNLNGXIGVLKFT-DBEWGXDHSA-N
• XLogP: 10.44
• TPSA: 220.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.13
LogP ≤ 5	10.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine?

The IUPAC name of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine (CID 159741633) is 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine.

What is the SMILES notation for 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine?

The canonical SMILES for 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine is COc1ccc(=O)[nH]c1.COc1ccc(=O)n(-c2ccc(C[C@H]3CC[C@H](Cc4ncc(SC)cn4)C3)nc2)c1.COc1ccc(=O)n(-c2ccc(Cl)nc2)c1.CSc1cnc(C[C@H]2CC[C@H](N)C2)nc1.Clc1ccc(I)cn1.

What is the InChIKey of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine?

The InChIKey is NCNLNGXIGVLKFT-DBEWGXDHSA-N. The full InChI is InChI=1S/C23H26N4O2S.C11H9ClN2O2.C11H17N3S.C6H7NO2.C5H3ClIN/c1-29-20-7-8-23(28)27(15-20)19-6-5-18(24-12-19)10-16-3-4-17(9-16)11-22-25-13-21(30-2)14-26-22;1-16-9-3-5-11(15)14(7-9)8-2-4-10(12)13-6-8;1-15-10-6-13-11(14-7-10)5-8-2-3-9(12)4-8;1-9-5-2-3-6(8)7-4-5;6-5-2-1-4(7)3-8-5/h5-8,12-17H,3-4,9-11H2,1-2H3;2-7H,1H3;6-9H,2-5,12H2,1H3;2-4H,1H3,(H,7,8);1-3H/t16-,17-;;8-,9-;;/m0.0../s1.

What are the key properties of 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine?

2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 1247.13 g/mol, XLogP of 10.44, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-iodopyridine;1-(6-chloro-3-pyridinyl)-5-methoxypyridin-2-one;5-methoxy-1-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-3-pyridinyl]pyridin-2-one;5-methoxy-1H-pyridin-2-one;trans-(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 159741633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).