4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine

C12H8Cl2FNO — CID 133090425

IUPAC4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
SMILESCOc1cc(-c2c(Cl)cccc2Cl)c(F)cn1
InChIInChI=1S/C12H8Cl2FNO/c1-17-11-5-7(10(15)6-16-11)12-8(13)3-2-4-9(12)14/h2-6H,1H3
InChIKeyQXENINCIVGAJCR-UHFFFAOYSA-N
MW272.11 g/mol
LogP4.20
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine

4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine (PubChem CID 133090425) has the molecular formula C12H8Cl2FNO and a molecular weight of 272.11 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
PubChem CID133090425
Molecular FormulaC12H8Cl2FNO
Molecular Weight272.11 g/mol
Exact Mass271.00
IUPAC Name4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
SMILESCOc1cc(-c2c(Cl)cccc2Cl)c(F)cn1
InChIInChI=1S/C12H8Cl2FNO/c1-17-11-5-7(10(15)6-16-11)12-8(13)3-2-4-9(12)14/h2-6H,1H3
InChIKeyQXENINCIVGAJCR-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine (CID 133090425) is 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine is COc1cc(-c2c(Cl)cccc2Cl)c(F)cn1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine?
The InChIKey is QXENINCIVGAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNO/c1-17-11-5-7(10(15)6-16-11)12-8(13)3-2-4-9(12)14/h2-6H,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine?
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine has a molecular weight of 272.11 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine is sourced from PubChem (CID 133090425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).