3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine

C12H8ClF2NO — CID 133087903

IUPAC3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccc(F)c1F
InChIInChI=1S/C12H8ClF2NO/c1-17-12-8(5-16-6-9(12)13)7-3-2-4-10(14)11(7)15/h2-6H,1H3
InChIKeyZZQCQARDGKQIIG-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.69
Rot. Bonds2

About 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine

3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine (PubChem CID 133087903) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine
PubChem CID133087903
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccc(F)c1F
InChIInChI=1S/C12H8ClF2NO/c1-17-12-8(5-16-6-9(12)13)7-3-2-4-10(14)11(7)15/h2-6H,1H3
InChIKeyZZQCQARDGKQIIG-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine?
The IUPAC name of 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine (CID 133087903) is 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine.
What is the SMILES notation for 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine?
The canonical SMILES for 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine is COc1c(Cl)cncc1-c1cccc(F)c1F.
What is the InChIKey of 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine?
The InChIKey is ZZQCQARDGKQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c1-17-12-8(5-16-6-9(12)13)7-3-2-4-10(14)11(7)15/h2-6H,1H3.
What are the key properties of 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine?
3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine has a molecular weight of 255.65 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine is sourced from PubChem (CID 133087903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).