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

C18H13FN2O — CID 67569853

IUPAC5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine
SMILESFc1cc(CC2c3ccccc3Oc3ncccc32)ccn1
InChIInChI=1S/C18H13FN2O/c19-17-11-12(7-9-20-17)10-15-13-4-1-2-6-16(13)22-18-14(15)5-3-8-21-18/h1-9,11,15H,10H2
InChIKeyLNEPBPZCMNKCHO-UHFFFAOYSA-N
MW292.31 g/mol
LogP4.10
Rot. Bonds2

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

5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine (PubChem CID 67569853) has the molecular formula C18H13FN2O and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine
PubChem CID67569853
Molecular FormulaC18H13FN2O
Molecular Weight292.31 g/mol
Exact Mass292.10
IUPAC Name5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine
SMILESFc1cc(CC2c3ccccc3Oc3ncccc32)ccn1
InChIInChI=1S/C18H13FN2O/c19-17-11-12(7-9-20-17)10-15-13-4-1-2-6-16(13)22-18-14(15)5-3-8-21-18/h1-9,11,15H,10H2
InChIKeyLNEPBPZCMNKCHO-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-5H-chromeno[2,3-b]pyridine?
The IUPAC name of 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine (CID 67569853) is 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine.
What is the SMILES notation for 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine?
The canonical SMILES for 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine is Fc1cc(CC2c3ccccc3Oc3ncccc32)ccn1.
What is the InChIKey of 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine?
The InChIKey is LNEPBPZCMNKCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O/c19-17-11-12(7-9-20-17)10-15-13-4-1-2-6-16(13)22-18-14(15)5-3-8-21-18/h1-9,11,15H,10H2.
What are the key properties of 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine?
5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine has a molecular weight of 292.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine is sourced from PubChem (CID 67569853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).