6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate

C54H44F7N7O13 — CID 164985744

About 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate

6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate (PubChem CID 164985744) has the molecular formula C54H44F7N7O13 and a molecular weight of 1131.97 g/mol. Its IUPAC name is 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate.

Molecular Properties

• Compound Name: 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
• PubChem CID: 164985744
• Molecular Formula: C54H44F7N7O13
• Molecular Weight: 1131.97 g/mol
• Exact Mass: 1131.29
• IUPAC Name: 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate
• SMILES: C=C(C(=O)OC)C(O)c1ccc(F)cn1.COC(=O)c1cc2ccc(F)cn2c1.COC(=O)c1ccc(F)cn1.O=C(O)c1cc2ccc(F)cn2c1.O=C(O)c1ccc(F)cn1.O=Cc1ccc(F)cn1.OCc1ccc(F)cn1
• InChI: InChI=1S/C10H10FNO3.C10H8FNO2.C9H6FNO2.C7H6FNO2.C6H4FNO2.C6H6FNO.C6H4FNO/c1-6(10(14)15-2)9(13)8-4-3-7(11)5-12-8;1-14-10(13)7-4-9-3-2-8(11)6-12(9)5-7;10-7-1-2-8-3-6(9(12)13)4-11(8)5-7;1-11-7(10)6-3-2-5(8)4-9-6;7-4-1-2-5(6(9)10)8-3-4;2*7-5-1-2-6(4-9)8-3-5/h3-5,9,13H,1H2,2H3;2-6H,1H3;1-5H,(H,12,13);2-4H,1H3;1-3H,(H,9,10);1-3,9H,4H2;1-4H
• InChIKey: GDEJSXCYVPFYFX-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 284.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.97
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate?

The IUPAC name of 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate (CID 164985744) is 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate.

What is the SMILES notation for 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate?

The canonical SMILES for 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate is C=C(C(=O)OC)C(O)c1ccc(F)cn1.COC(=O)c1cc2ccc(F)cn2c1.COC(=O)c1ccc(F)cn1.O=C(O)c1cc2ccc(F)cn2c1.O=C(O)c1ccc(F)cn1.O=Cc1ccc(F)cn1.OCc1ccc(F)cn1.

What is the InChIKey of 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate?

The InChIKey is GDEJSXCYVPFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3.C10H8FNO2.C9H6FNO2.C7H6FNO2.C6H4FNO2.C6H6FNO.C6H4FNO/c1-6(10(14)15-2)9(13)8-4-3-7(11)5-12-8;1-14-10(13)7-4-9-3-2-8(11)6-12(9)5-7;10-7-1-2-8-3-6(9(12)13)4-11(8)5-7;1-11-7(10)6-3-2-5(8)4-9-6;7-4-1-2-5(6(9)10)8-3-4;2*7-5-1-2-6(4-9)8-3-5/h3-5,9,13H,1H2,2H3;2-6H,1H3;1-5H,(H,12,13);2-4H,1H3;1-3H,(H,9,10);1-3,9H,4H2;1-4H.

What are the key properties of 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate?

6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate has a molecular weight of 1131.97 g/mol, XLogP of 8.30, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoroindolizine-2-carboxylic acid;5-fluoropyridine-2-carbaldehyde;5-fluoropyridine-2-carboxylic acid;(5-fluoro-2-pyridinyl)methanol;methyl 6-fluoroindolizine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 2-[(5-fluoro-2-pyridinyl)-hydroxymethyl]prop-2-enoate is sourced from PubChem (CID 164985744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).