3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine

C20H18F2N2O2 — CID 135246966

IUPAC3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
SMILESCOc1c(C)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C20H18F2N2O2/c1-13-11-23-12-17(18(13)25-3)16-5-4-10-24-19(16)26-15-8-6-14(7-9-15)20(2,21)22/h4-12H,1-3H3
InChIKeyUQZJYUMFXGPQDK-UHFFFAOYSA-N
MW356.37 g/mol
LogP5.36
Rot. Bonds5

About 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine

3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine (PubChem CID 135246966) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine.

Molecular Properties

Compound Name3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
PubChem CID135246966
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
SMILESCOc1c(C)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1
InChIInChI=1S/C20H18F2N2O2/c1-13-11-23-12-17(18(13)25-3)16-5-4-10-24-19(16)26-15-8-6-14(7-9-15)20(2,21)22/h4-12H,1-3H3
InChIKeyUQZJYUMFXGPQDK-UHFFFAOYSA-N
XLogP5.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 135246990
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
2-[4-(1,1-difluoroethyl)-2-fluorophenoxy]-3-(4-methyl-3-pyridinyl)pyridine
CID 126714411
2-(3,4-dimethylphenoxy)-3-(4-methoxy-3-pyridinyl)pyridine
CID 135235930
[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanol
CID 135235744
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
CID 135235764
8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
CID 135247003
3-(2-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 135235807
[2,2,2-trifluoro-1-[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]ethyl] 4-methylbenzenesulfonate
CID 135235673
6-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]isoquinolin-1-amine
CID 169108194
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
4-methoxy-3,5-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 134623318

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine?
The IUPAC name of 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine (CID 135246966) is 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine.
What is the SMILES notation for 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine?
The canonical SMILES for 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine is COc1c(C)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)cc1.
What is the InChIKey of 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine?
The InChIKey is UQZJYUMFXGPQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-13-11-23-12-17(18(13)25-3)16-5-4-10-24-19(16)26-15-8-6-14(7-9-15)20(2,21)22/h4-12H,1-3H3.
What are the key properties of 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine?
3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine has a molecular weight of 356.37 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine is sourced from PubChem (CID 135246966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).