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

C21H17ClFNO2 — CID 90372667

IUPAC7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCOc1ccc(F)c(-c2ccc(C3CCc4ccc(Cl)nc4O3)cc2)c1
InChIInChI=1S/C21H17ClFNO2/c1-25-16-8-9-18(23)17(12-16)13-2-4-14(5-3-13)19-10-6-15-7-11-20(22)24-21(15)26-19/h2-5,7-9,11-12,19H,6,10H2,1H3
InChIKeySCYJDBZVAWGHEZ-UHFFFAOYSA-N
MW369.82 g/mol
LogP5.62
Rot. Bonds3

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

7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 90372667) has the molecular formula C21H17ClFNO2 and a molecular weight of 369.82 g/mol. Its IUPAC name is 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID90372667
Molecular FormulaC21H17ClFNO2
Molecular Weight369.82 g/mol
Exact Mass369.09
IUPAC Name7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCOc1ccc(F)c(-c2ccc(C3CCc4ccc(Cl)nc4O3)cc2)c1
InChIInChI=1S/C21H17ClFNO2/c1-25-16-8-9-18(23)17(12-16)13-2-4-14(5-3-13)19-10-6-15-7-11-20(22)24-21(15)26-19/h2-5,7-9,11-12,19H,6,10H2,1H3
InChIKeySCYJDBZVAWGHEZ-UHFFFAOYSA-N
XLogP5.62
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.82
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 90372667) is 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine is COc1ccc(F)c(-c2ccc(C3CCc4ccc(Cl)nc4O3)cc2)c1.
What is the InChIKey of 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is SCYJDBZVAWGHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO2/c1-25-16-8-9-18(23)17(12-16)13-2-4-14(5-3-13)19-10-6-15-7-11-20(22)24-21(15)26-19/h2-5,7-9,11-12,19H,6,10H2,1H3.
What are the key properties of 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 369.82 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[4-(2-fluoro-5-methoxyphenyl)phenyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 90372667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).