4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine

C13H11ClFNO2 — CID 118978136

IUPAC4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
SMILESCOc1cc(-c2cc(Cl)ccc2F)c(OC)cn1
InChIInChI=1S/C13H11ClFNO2/c1-17-12-7-16-13(18-2)6-10(12)9-5-8(14)3-4-11(9)15/h3-7H,1-2H3
InChIKeyMYUQECGSGPNANL-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.56
Rot. Bonds3

About 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine

4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine (PubChem CID 118978136) has the molecular formula C13H11ClFNO2 and a molecular weight of 267.69 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
PubChem CID118978136
Molecular FormulaC13H11ClFNO2
Molecular Weight267.69 g/mol
Exact Mass267.05
IUPAC Name4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
SMILESCOc1cc(-c2cc(Cl)ccc2F)c(OC)cn1
InChIInChI=1S/C13H11ClFNO2/c1-17-12-7-16-13(18-2)6-10(12)9-5-8(14)3-4-11(9)15/h3-7H,1-2H3
InChIKeyMYUQECGSGPNANL-UHFFFAOYSA-N
XLogP3.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine (CID 118978136) is 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine is COc1cc(-c2cc(Cl)ccc2F)c(OC)cn1.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine?
The InChIKey is MYUQECGSGPNANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2/c1-17-12-7-16-13(18-2)6-10(12)9-5-8(14)3-4-11(9)15/h3-7H,1-2H3.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine?
4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine has a molecular weight of 267.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine is sourced from PubChem (CID 118978136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).