2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine

C21H21F2N3O2 — CID 135246688

IUPAC2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine
SMILESCCCc1ccc(OC)nc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C21H21F2N3O2/c1-4-6-14-8-11-18(27-3)26-19(14)16-7-5-12-24-20(16)28-15-9-10-17(25-13-15)21(2,22)23/h5,7-13H,4,6H2,1-3H3
InChIKeyHCXUQMLSRLKYCF-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.40
Rot. Bonds7

About 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine

2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine (PubChem CID 135246688) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine.

Molecular Properties

Compound Name2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine
PubChem CID135246688
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine
SMILESCCCc1ccc(OC)nc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C21H21F2N3O2/c1-4-6-14-8-11-18(27-3)26-19(14)16-7-5-12-24-20(16)28-15-9-10-17(25-13-15)21(2,22)23/h5,7-13H,4,6H2,1-3H3
InChIKeyHCXUQMLSRLKYCF-UHFFFAOYSA-N
XLogP5.40
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine with MolForge

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Related Compounds

8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
CID 135247003
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyridine
CID 135235764
5-fluoro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyridine
CID 135235911
5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine
CID 135246741
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
CID 135235795
7-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 135235659
4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 126714412
3-[2-[4-(1,1-difluoroethyl)phenoxy]-3-pyridinyl]-4-methoxy-5-methylpyridine
CID 135246966
2-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62287354
3-(2,3-dihydro-1-benzofuran-7-yl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyridine
CID 126714555
5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
CID 135246796
2-methoxy-5-(2-propylphenyl)pyridine
CID 118003206

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine?
The IUPAC name of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine (CID 135246688) is 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine.
What is the SMILES notation for 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine?
The canonical SMILES for 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine is CCCc1ccc(OC)nc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1.
What is the InChIKey of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine?
The InChIKey is HCXUQMLSRLKYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-4-6-14-8-11-18(27-3)26-19(14)16-7-5-12-24-20(16)28-15-9-10-17(25-13-15)21(2,22)23/h5,7-13H,4,6H2,1-3H3.
What are the key properties of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine?
2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine has a molecular weight of 385.41 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine is sourced from PubChem (CID 135246688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).