2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine

C55H36ClF6I2N25 — CID 158833723

About 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine

2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine (PubChem CID 158833723) has the molecular formula C55H36ClF6I2N25 and a molecular weight of 1450.32 g/mol. Its IUPAC name is 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
• PubChem CID: 158833723
• Molecular Formula: C55H36ClF6I2N25
• Molecular Weight: 1450.32 g/mol
• Exact Mass: 1449.13
• IUPAC Name: 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
• SMILES: Fc1cnc2c(c1)C(I)=NC2.Fc1cnc2c(c1)c(I)nn2Cc1ncccn1.N#Cc1cc(F)cnc1Cl.N#Cc1nn(Cc2ncccn2)c2ncc(F)cc12.NC1=NCc2ncc(F)cc21.[H]/N=C(\N)c1nn(Cc2ncccn2)c2ncc(F)cc12
• InChI: InChI=1S/C12H10FN7.C12H7FN6.C11H7FIN5.C7H4FIN2.C7H6FN3.C6H2ClFN2/c13-7-4-8-10(11(14)15)19-20(12(8)18-5-7)6-9-16-2-1-3-17-9;13-8-4-9-10(5-14)18-19(12(9)17-6-8)7-11-15-2-1-3-16-11;12-7-4-8-10(13)17-18(11(8)16-5-7)6-9-14-2-1-3-15-9;2*8-4-1-5-6(10-2-4)3-11-7(5)9;7-6-4(2-9)1-5(8)3-10-6/h1-5H,6H2,(H3,14,15);1-4,6H,7H2;1-5H,6H2;1-2H,3H2;1-2H,3H2,(H2,9,11);1,3H
• InChIKey: IXJDHRQYIIIZLF-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 356.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.32
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?

The IUPAC name of 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine (CID 158833723) is 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine.

What is the SMILES notation for 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?

The canonical SMILES for 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine is Fc1cnc2c(c1)C(I)=NC2.Fc1cnc2c(c1)c(I)nn2Cc1ncccn1.N#Cc1cc(F)cnc1Cl.N#Cc1nn(Cc2ncccn2)c2ncc(F)cc12.NC1=NCc2ncc(F)cc21.[H]/N=C(\N)c1nn(Cc2ncccn2)c2ncc(F)cc12.

What is the InChIKey of 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?

The InChIKey is IXJDHRQYIIIZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7.C12H7FN6.C11H7FIN5.C7H4FIN2.C7H6FN3.C6H2ClFN2/c13-7-4-8-10(11(14)15)19-20(12(8)18-5-7)6-9-16-2-1-3-17-9;13-8-4-9-10(5-14)18-19(12(9)17-6-8)7-11-15-2-1-3-16-11;12-7-4-8-10(13)17-18(11(8)16-5-7)6-9-14-2-1-3-15-9;2*8-4-1-5-6(10-2-4)3-11-7(5)9;7-6-4(2-9)1-5(8)3-10-6/h1-5H,6H2,(H3,14,15);1-4,6H,7H2;1-5H,6H2;1-2H,3H2;1-2H,3H2,(H2,9,11);1,3H.

What are the key properties of 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine?

2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine has a molecular weight of 1450.32 g/mol, XLogP of 8.09, 7 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 158833723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).