5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine

C19H16ClF2N3O3 — CID 135246741

IUPAC5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncccc2-c2cc(Cl)cnc2OC)cn1
InChIInChI=1S/C19H16ClF2N3O3/c1-26-11-19(21,22)16-6-5-13(10-24-16)28-18-14(4-3-7-23-18)15-8-12(20)9-25-17(15)27-2/h3-10H,11H2,1-2H3
InChIKeyCBJUZCDNHMKSRP-UHFFFAOYSA-N
MW407.80 g/mol
LogP4.73
Rot. Bonds7

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

5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine (PubChem CID 135246741) has the molecular formula C19H16ClF2N3O3 and a molecular weight of 407.80 g/mol. Its IUPAC name is 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine
PubChem CID135246741
Molecular FormulaC19H16ClF2N3O3
Molecular Weight407.80 g/mol
Exact Mass407.08
IUPAC Name5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine
SMILESCOCC(F)(F)c1ccc(Oc2ncccc2-c2cc(Cl)cnc2OC)cn1
InChIInChI=1S/C19H16ClF2N3O3/c1-26-11-19(21,22)16-6-5-13(10-24-16)28-18-14(4-3-7-23-18)15-8-12(20)9-25-17(15)27-2/h3-10H,11H2,1-2H3
InChIKeyCBJUZCDNHMKSRP-UHFFFAOYSA-N
XLogP4.73
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine?
The IUPAC name of 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine (CID 135246741) is 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine is COCC(F)(F)c1ccc(Oc2ncccc2-c2cc(Cl)cnc2OC)cn1.
What is the InChIKey of 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine?
The InChIKey is CBJUZCDNHMKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O3/c1-26-11-19(21,22)16-6-5-13(10-24-16)28-18-14(4-3-7-23-18)15-8-12(20)9-25-17(15)27-2/h3-10H,11H2,1-2H3.
What are the key properties of 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine?
5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine has a molecular weight of 407.80 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine is sourced from PubChem (CID 135246741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).