5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine

C25H19F2N3O2 — CID 19606107

IUPAC5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine
SMILESCOc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1cccnc1O2
InChIInChI=1S/C25H19F2N3O2/c1-31-18-4-5-21-20(13-18)25(14-16-6-9-28-22(26)11-16,15-17-7-10-29-23(27)12-17)19-3-2-8-30-24(19)32-21/h2-13H,14-15H2,1H3
InChIKeyVCDFCSBEUGGPQE-UHFFFAOYSA-N
MW431.44 g/mol
LogP5.04
Rot. Bonds5

About 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine

5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine (PubChem CID 19606107) has the molecular formula C25H19F2N3O2 and a molecular weight of 431.44 g/mol. Its IUPAC name is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine.

Molecular Properties

Compound Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine
PubChem CID19606107
Molecular FormulaC25H19F2N3O2
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine
SMILESCOc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1cccnc1O2
InChIInChI=1S/C25H19F2N3O2/c1-31-18-4-5-21-20(13-18)25(14-16-6-9-28-22(26)11-16,15-17-7-10-29-23(27)12-17)19-3-2-8-30-24(19)32-21/h2-13H,14-15H2,1H3
InChIKeyVCDFCSBEUGGPQE-UHFFFAOYSA-N
XLogP5.04
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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]-7-methoxychromeno[2,3-b]pyridine?
The IUPAC name of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine (CID 19606107) is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine.
What is the SMILES notation for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine?
The canonical SMILES for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine is COc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1cccnc1O2.
What is the InChIKey of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine?
The InChIKey is VCDFCSBEUGGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O2/c1-31-18-4-5-21-20(13-18)25(14-16-6-9-28-22(26)11-16,15-17-7-10-29-23(27)12-17)19-3-2-8-30-24(19)32-21/h2-13H,14-15H2,1H3.
What are the key properties of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine?
5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine has a molecular weight of 431.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-methoxychromeno[2,3-b]pyridine is sourced from PubChem (CID 19606107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).