5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine

C24H17F2N3O — CID 19606084

IUPAC5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3Oc3ncccc32)ccn1
InChIInChI=1S/C24H17F2N3O/c25-21-12-16(7-10-27-21)14-24(15-17-8-11-28-22(26)13-17)18-4-1-2-6-20(18)30-23-19(24)5-3-9-29-23/h1-13H,14-15H2
InChIKeyBFVTWSVXLWSIBN-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.03
Rot. Bonds4

About 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine

5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine (PubChem CID 19606084) has the molecular formula C24H17F2N3O and a molecular weight of 401.42 g/mol. Its IUPAC name is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine.

Molecular Properties

Compound Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine
PubChem CID19606084
Molecular FormulaC24H17F2N3O
Molecular Weight401.42 g/mol
Exact Mass401.13
IUPAC Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3Oc3ncccc32)ccn1
InChIInChI=1S/C24H17F2N3O/c25-21-12-16(7-10-27-21)14-24(15-17-8-11-28-22(26)13-17)18-4-1-2-6-20(18)30-23-19(24)5-3-9-29-23/h1-13H,14-15H2
InChIKeyBFVTWSVXLWSIBN-UHFFFAOYSA-N
XLogP5.03
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine?
The IUPAC name of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine (CID 19606084) is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine.
What is the SMILES notation for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine?
The canonical SMILES for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine is Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3Oc3ncccc32)ccn1.
What is the InChIKey of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine?
The InChIKey is BFVTWSVXLWSIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O/c25-21-12-16(7-10-27-21)14-24(15-17-8-11-28-22(26)13-17)18-4-1-2-6-20(18)30-23-19(24)5-3-9-29-23/h1-13H,14-15H2.
What are the key properties of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine?
5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine has a molecular weight of 401.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]chromeno[2,3-b]pyridine is sourced from PubChem (CID 19606084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).