5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine

C19H15ClFNO — CID 141416194

IUPAC5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine
SMILESCOc1ncc(Cc2ccccc2)cc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H15ClFNO/c1-23-19-16(15-7-8-17(20)18(21)11-15)10-14(12-22-19)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3
InChIKeySFPFCYHGRPBBCD-UHFFFAOYSA-N
MW327.79 g/mol
LogP5.14
Rot. Bonds4

About 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine

5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine (PubChem CID 141416194) has the molecular formula C19H15ClFNO and a molecular weight of 327.79 g/mol. Its IUPAC name is 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine.

Molecular Properties

Compound Name5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine
PubChem CID141416194
Molecular FormulaC19H15ClFNO
Molecular Weight327.79 g/mol
Exact Mass327.08
IUPAC Name5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine
SMILESCOc1ncc(Cc2ccccc2)cc1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C19H15ClFNO/c1-23-19-16(15-7-8-17(20)18(21)11-15)10-14(12-22-19)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3
InChIKeySFPFCYHGRPBBCD-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.79
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine?
The IUPAC name of 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine (CID 141416194) is 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine.
What is the SMILES notation for 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine?
The canonical SMILES for 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine is COc1ncc(Cc2ccccc2)cc1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine?
The InChIKey is SFPFCYHGRPBBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO/c1-23-19-16(15-7-8-17(20)18(21)11-15)10-14(12-22-19)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3.
What are the key properties of 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine?
5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine has a molecular weight of 327.79 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-chloro-3-fluorophenyl)-2-methoxypyridine is sourced from PubChem (CID 141416194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).