azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride

C54H62Cl5F7N14O4 — CID 162083687

About azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride

azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride (PubChem CID 162083687) has the molecular formula C54H62Cl5F7N14O4 and a molecular weight of 1281.43 g/mol. Its IUPAC name is azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride.

Molecular Properties

• Compound Name: azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride
• PubChem CID: 162083687
• Molecular Formula: C54H62Cl5F7N14O4
• Molecular Weight: 1281.43 g/mol
• Exact Mass: 1278.34
• IUPAC Name: azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride
• SMILES: C1CNC1.CC(C)(C)OC(=O)Nc1cc(N2CCC2)nc(F)c1Cl.Cl.Fc1cccc(F)n1.Fc1cccc(N2CCC2)n1.Fc1nc(N2CCC2)ccc1Cl.Nc1cc(N2CCC2)nc(F)c1Cl.O=C(O)c1cc(N2CCC2)nc(F)c1Cl
• InChI: InChI=1S/C13H17ClFN3O2.C9H8ClFN2O2.C8H9ClFN3.C8H8ClFN2.C8H9FN2.C5H3F2N.C3H7N.ClH/c1-13(2,3)20-12(19)16-8-7-9(18-5-4-6-18)17-11(15)10(8)14;10-7-5(9(14)15)4-6(12-8(7)11)13-2-1-3-13;9-7-5(11)4-6(12-8(7)10)13-2-1-3-13;9-6-2-3-7(11-8(6)10)12-4-1-5-12;9-7-3-1-4-8(10-7)11-5-2-6-11;6-4-2-1-3-5(7)8-4;1-2-4-3-1;/h7H,4-6H2,1-3H3,(H,16,17,19);4H,1-3H2,(H,14,15);4H,1-3H2,(H2,11,12);2-3H,1,4-5H2;1,3-4H,2,5-6H2;1-3H;4H,1-3H2;1H
• InChIKey: IZIUVOIDDSFPJR-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 207.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1281.43
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride?

The IUPAC name of azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride (CID 162083687) is azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride.

What is the SMILES notation for azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride?

The canonical SMILES for azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride is C1CNC1.CC(C)(C)OC(=O)Nc1cc(N2CCC2)nc(F)c1Cl.Cl.Fc1cccc(F)n1.Fc1cccc(N2CCC2)n1.Fc1nc(N2CCC2)ccc1Cl.Nc1cc(N2CCC2)nc(F)c1Cl.O=C(O)c1cc(N2CCC2)nc(F)c1Cl.

What is the InChIKey of azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride?

The InChIKey is IZIUVOIDDSFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN3O2.C9H8ClFN2O2.C8H9ClFN3.C8H8ClFN2.C8H9FN2.C5H3F2N.C3H7N.ClH/c1-13(2,3)20-12(19)16-8-7-9(18-5-4-6-18)17-11(15)10(8)14;10-7-5(9(14)15)4-6(12-8(7)11)13-2-1-3-13;9-7-5(11)4-6(12-8(7)10)13-2-1-3-13;9-6-2-3-7(11-8(6)10)12-4-1-5-12;9-7-3-1-4-8(10-7)11-5-2-6-11;6-4-2-1-3-5(7)8-4;1-2-4-3-1;/h7H,4-6H2,1-3H3,(H,16,17,19);4H,1-3H2,(H,14,15);4H,1-3H2,(H2,11,12);2-3H,1,4-5H2;1,3-4H,2,5-6H2;1-3H;4H,1-3H2;1H.

What are the key properties of azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride?

azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride has a molecular weight of 1281.43 g/mol, XLogP of 12.16, 7 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridin-4-amine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine;6-(azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid;2-(azetidin-1-yl)-6-fluoropyridine;tert-butyl N-[6-(azetidin-1-yl)-3-chloro-2-fluoro-4-pyridinyl]carbamate;2,6-difluoropyridine;hydrochloride is sourced from PubChem (CID 162083687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).