6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine

C61H75Cl2F3N10O4 — CID 158437530

About 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine

6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine (PubChem CID 158437530) has the molecular formula C61H75Cl2F3N10O4 and a molecular weight of 1140.24 g/mol. Its IUPAC name is 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine.

Molecular Properties

• Compound Name: 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine
• PubChem CID: 158437530
• Molecular Formula: C61H75Cl2F3N10O4
• Molecular Weight: 1140.24 g/mol
• Exact Mass: 1138.53
• IUPAC Name: 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine
• SMILES: C.CN1CCNCC1.Fc1ccccc1C1CCNCC1.O=C(O)c1cccc(Cl)n1.O=C(c1cccc(Cl)n1)N1CCC(c2ccccc2F)CC1.O=C(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1
• InChI: InChI=1S/C21H25FN4O.C17H16ClFN2O.C11H14FN.C6H4ClNO2.C5H12N2.CH4/c22-18-5-2-1-4-17(18)16-8-12-26(13-9-16)21(27)19-6-3-7-20(24-19)25-14-10-23-11-15-25;18-16-7-3-6-15(20-16)17(22)21-10-8-12(9-11-21)13-4-1-2-5-14(13)19;12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;7-5-3-1-2-4(8-5)6(9)10;1-7-4-2-6-3-5-7;/h1-7,16,23H,8-15H2;1-7,12H,8-11H2;1-4,9,13H,5-8H2;1-3H,(H,9,10);6H,2-5H2,1H3;1H4
• InChIKey: HCKLUBXZXINKTM-UHFFFAOYSA-N
• XLogP: 10.43
• TPSA: 159.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.24
LogP ≤ 5	10.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine?

The IUPAC name of 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine (CID 158437530) is 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine.

What is the SMILES notation for 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine?

The canonical SMILES for 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine is C.CN1CCNCC1.Fc1ccccc1C1CCNCC1.O=C(O)c1cccc(Cl)n1.O=C(c1cccc(Cl)n1)N1CCC(c2ccccc2F)CC1.O=C(c1cccc(N2CCNCC2)n1)N1CCC(c2ccccc2F)CC1.

What is the InChIKey of 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine?

The InChIKey is HCKLUBXZXINKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O.C17H16ClFN2O.C11H14FN.C6H4ClNO2.C5H12N2.CH4/c22-18-5-2-1-4-17(18)16-8-12-26(13-9-16)21(27)19-6-3-7-20(24-19)25-14-10-23-11-15-25;18-16-7-3-6-15(20-16)17(22)21-10-8-12(9-11-21)13-4-1-2-5-14(13)19;12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;7-5-3-1-2-4(8-5)6(9)10;1-7-4-2-6-3-5-7;/h1-7,16,23H,8-15H2;1-7,12H,8-11H2;1-4,9,13H,5-8H2;1-3H,(H,9,10);6H,2-5H2,1H3;1H4.

What are the key properties of 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine?

6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine has a molecular weight of 1140.24 g/mol, XLogP of 10.43, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloropyridine-2-carboxylic acid;(6-chloro-2-pyridinyl)-[4-(2-fluorophenyl)piperidin-1-yl]methanone;4-(2-fluorophenyl)piperidine;[4-(2-fluorophenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone;methane;1-methylpiperazine is sourced from PubChem (CID 158437530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).