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

C18H14ClF2N3O2 — CID 126714567

IUPAC3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C18H14ClF2N3O2/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
InChIKeyOXVSFEDTXLCHOH-UHFFFAOYSA-N
MW377.78 g/mol
LogP5.10
Rot. Bonds5

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

3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine (PubChem CID 126714567) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine
PubChem CID126714567
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine
SMILESCOc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C18H14ClF2N3O2/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
InChIKeyOXVSFEDTXLCHOH-UHFFFAOYSA-N
XLogP5.10
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.78
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine?
The IUPAC name of 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine (CID 126714567) is 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine.
What is the SMILES notation for 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine?
The canonical SMILES for 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine is COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(C)(F)F)nc1.
What is the InChIKey of 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine?
The InChIKey is OXVSFEDTXLCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/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-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine?
3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine has a molecular weight of 377.78 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-4-methoxypyridine is sourced from PubChem (CID 126714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).