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

C24H18FN3O — CID 19606108

IUPAC5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine
SMILESFc1cc(CC2(Cc3ccncc3)c3ccccc3Oc3ncccc32)ccn1
InChIInChI=1S/C24H18FN3O/c25-22-14-18(9-13-27-22)16-24(15-17-7-11-26-12-8-17)19-4-1-2-6-21(19)29-23-20(24)5-3-10-28-23/h1-14H,15-16H2
InChIKeyZJOGROCTDQRQHQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.89
Rot. Bonds4

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

5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine (PubChem CID 19606108) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine
PubChem CID19606108
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine
SMILESFc1cc(CC2(Cc3ccncc3)c3ccccc3Oc3ncccc32)ccn1
InChIInChI=1S/C24H18FN3O/c25-22-14-18(9-13-27-22)16-24(15-17-7-11-26-12-8-17)19-4-1-2-6-21(19)29-23-20(24)5-3-10-28-23/h1-14H,15-16H2
InChIKeyZJOGROCTDQRQHQ-UHFFFAOYSA-N
XLogP4.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.89
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-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine?
The IUPAC name of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine (CID 19606108) is 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine.
What is the SMILES notation for 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine?
The canonical SMILES for 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine is Fc1cc(CC2(Cc3ccncc3)c3ccccc3Oc3ncccc32)ccn1.
What is the InChIKey of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine?
The InChIKey is ZJOGROCTDQRQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c25-22-14-18(9-13-27-22)16-24(15-17-7-11-26-12-8-17)19-4-1-2-6-21(19)29-23-20(24)5-3-10-28-23/h1-14H,15-16H2.
What are the key properties of 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine?
5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine has a molecular weight of 383.43 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine is sourced from PubChem (CID 19606108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).