3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine

C18H14F3N3O2 — CID 135235636

IUPAC3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine
SMILESCOc1c(F)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C18H14F3N3O2/c1-18(20,21)15-6-5-11(8-24-15)26-17-12(4-3-7-23-17)13-9-22-10-14(19)16(13)25-2/h3-10H,1-2H3
InChIKeyHIZHHOMARYAVBD-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.59
Rot. Bonds5

About 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine

3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine (PubChem CID 135235636) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine
PubChem CID135235636
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine
SMILESCOc1c(F)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C18H14F3N3O2/c1-18(20,21)15-6-5-11(8-24-15)26-17-12(4-3-7-23-17)13-9-22-10-14(19)16(13)25-2/h3-10H,1-2H3
InChIKeyHIZHHOMARYAVBD-UHFFFAOYSA-N
XLogP4.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine?
The IUPAC name of 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine (CID 135235636) is 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine.
What is the SMILES notation for 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine?
The canonical SMILES for 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine is COc1c(F)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1.
What is the InChIKey of 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine?
The InChIKey is HIZHHOMARYAVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-18(20,21)15-6-5-11(8-24-15)26-17-12(4-3-7-23-17)13-9-22-10-14(19)16(13)25-2/h3-10H,1-2H3.
What are the key properties of 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine?
3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine has a molecular weight of 361.32 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine is sourced from PubChem (CID 135235636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).