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

C19H17F2N3O3 — CID 126714553

IUPAC2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine
SMILESCOc1ccc(OC)c(-c2cccnc2Oc2ccc(C(C)(F)F)nc2)n1
InChIInChI=1S/C19H17F2N3O3/c1-19(20,21)15-8-6-12(11-23-15)27-18-13(5-4-10-22-18)17-14(25-2)7-9-16(24-17)26-3/h4-11H,1-3H3
InChIKeyJNNSVQVOBNVNHL-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.46
Rot. Bonds6

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

2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine (PubChem CID 126714553) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine.

Molecular Properties

Compound Name2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine
PubChem CID126714553
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine
SMILESCOc1ccc(OC)c(-c2cccnc2Oc2ccc(C(C)(F)F)nc2)n1
InChIInChI=1S/C19H17F2N3O3/c1-19(20,21)15-8-6-12(11-23-15)27-18-13(5-4-10-22-18)17-14(25-2)7-9-16(24-17)26-3/h4-11H,1-3H3
InChIKeyJNNSVQVOBNVNHL-UHFFFAOYSA-N
XLogP4.46
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine?
The IUPAC name of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine (CID 126714553) is 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine.
What is the SMILES notation for 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine?
The canonical SMILES for 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine is COc1ccc(OC)c(-c2cccnc2Oc2ccc(C(C)(F)F)nc2)n1.
What is the InChIKey of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine?
The InChIKey is JNNSVQVOBNVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-19(20,21)15-8-6-12(11-23-15)27-18-13(5-4-10-22-18)17-14(25-2)7-9-16(24-17)26-3/h4-11H,1-3H3.
What are the key properties of 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine?
2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine has a molecular weight of 373.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-3,6-dimethoxypyridine is sourced from PubChem (CID 126714553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).