tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine

C43H49Cl3F5IN10O6 — CID 159681472

About tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine

tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine (PubChem CID 159681472) has the molecular formula C43H49Cl3F5IN10O6 and a molecular weight of 1130.18 g/mol. Its IUPAC name is tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine
• PubChem CID: 159681472
• Molecular Formula: C43H49Cl3F5IN10O6
• Molecular Weight: 1130.18 g/mol
• Exact Mass: 1128.19
• IUPAC Name: tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine
• SMILES: CC(C)(C)OC(=O)Nc1ccnc(Cl)c1F.CC(C)(C)OC(=O)Nc1ccnc(N2CCOCC2)c1F.Fc1c(I)ccnc1Cl.Fc1cccnc1Cl.Nc1ccnc(N2CCOCC2)c1F
• InChI: InChI=1S/C14H20FN3O3.C10H12ClFN2O2.C9H12FN3O.C5H2ClFIN.C5H3ClFN/c1-14(2,3)21-13(19)17-10-4-5-16-12(11(10)15)18-6-8-20-9-7-18;1-10(2,3)16-9(15)14-6-4-5-13-8(11)7(6)12;10-8-7(11)1-2-12-9(8)13-3-5-14-6-4-13;6-5-4(7)3(8)1-2-9-5;6-5-4(7)2-1-3-8-5/h4-5H,6-9H2,1-3H3,(H,16,17,19);4-5H,1-3H3,(H,13,14,15);1-2H,3-6H2,(H2,11,12);1-2H;1-3H
• InChIKey: MVGHLFYHGJVZNR-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 192.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.18
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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 tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine?

The IUPAC name of tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine (CID 159681472) is tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine.

What is the SMILES notation for tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine?

The canonical SMILES for tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine is CC(C)(C)OC(=O)Nc1ccnc(Cl)c1F.CC(C)(C)OC(=O)Nc1ccnc(N2CCOCC2)c1F.Fc1c(I)ccnc1Cl.Fc1cccnc1Cl.Nc1ccnc(N2CCOCC2)c1F.

What is the InChIKey of tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine?

The InChIKey is MVGHLFYHGJVZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3.C10H12ClFN2O2.C9H12FN3O.C5H2ClFIN.C5H3ClFN/c1-14(2,3)21-13(19)17-10-4-5-16-12(11(10)15)18-6-8-20-9-7-18;1-10(2,3)16-9(15)14-6-4-5-13-8(11)7(6)12;10-8-7(11)1-2-12-9(8)13-3-5-14-6-4-13;6-5-4(7)3(8)1-2-9-5;6-5-4(7)2-1-3-8-5/h4-5H,6-9H2,1-3H3,(H,16,17,19);4-5H,1-3H3,(H,13,14,15);1-2H,3-6H2,(H2,11,12);1-2H;1-3H.

What are the key properties of tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine?

tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine has a molecular weight of 1130.18 g/mol, XLogP of 10.62, 4 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-chloro-3-fluoro-4-pyridinyl)carbamate;tert-butyl N-(3-fluoro-2-morpholin-4-yl-4-pyridinyl)carbamate;2-chloro-3-fluoro-4-iodopyridine;2-chloro-3-fluoropyridine;3-fluoro-2-morpholin-4-ylpyridin-4-amine is sourced from PubChem (CID 159681472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).