7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C21H17ClFNO — CID 118638040

IUPAC7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCc1ccc(F)c(-c2ccc(C3CCc4ccc(Cl)nc4O3)cc2)c1
InChIInChI=1S/C21H17ClFNO/c1-13-2-9-18(23)17(12-13)14-3-5-15(6-4-14)19-10-7-16-8-11-20(22)24-21(16)25-19/h2-6,8-9,11-12,19H,7,10H2,1H3
InChIKeyGNJZICRRGVXGSK-UHFFFAOYSA-N
MW353.82 g/mol
LogP5.92
Rot. Bonds2

About 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine

7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 118638040) has the molecular formula C21H17ClFNO and a molecular weight of 353.82 g/mol. Its IUPAC name is 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID118638040
Molecular FormulaC21H17ClFNO
Molecular Weight353.82 g/mol
Exact Mass353.10
IUPAC Name7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCc1ccc(F)c(-c2ccc(C3CCc4ccc(Cl)nc4O3)cc2)c1
InChIInChI=1S/C21H17ClFNO/c1-13-2-9-18(23)17(12-13)14-3-5-15(6-4-14)19-10-7-16-8-11-20(22)24-21(16)25-19/h2-6,8-9,11-12,19H,7,10H2,1H3
InChIKeyGNJZICRRGVXGSK-UHFFFAOYSA-N
XLogP5.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.82
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 118638040) is 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine is Cc1ccc(F)c(-c2ccc(C3CCc4ccc(Cl)nc4O3)cc2)c1.
What is the InChIKey of 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is GNJZICRRGVXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO/c1-13-2-9-18(23)17(12-13)14-3-5-15(6-4-14)19-10-7-16-8-11-20(22)24-21(16)25-19/h2-6,8-9,11-12,19H,7,10H2,1H3.
What are the key properties of 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 353.82 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-(2-fluoro-5-methylphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 118638040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).