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

C16H11ClF2N4O — CID 135246796

IUPAC5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCC(F)(F)c1ccc(Oc2ncncc2-c2cncc(Cl)c2)cn1
InChIInChI=1S/C16H11ClF2N4O/c1-16(18,19)14-3-2-12(7-22-14)24-15-13(8-21-9-23-15)10-4-11(17)6-20-5-10/h2-9H,1H3
InChIKeyGDEHGIODJCJKRB-UHFFFAOYSA-N
MW348.74 g/mol
LogP4.49
Rot. Bonds4

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

5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine (PubChem CID 135246796) has the molecular formula C16H11ClF2N4O and a molecular weight of 348.74 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
PubChem CID135246796
Molecular FormulaC16H11ClF2N4O
Molecular Weight348.74 g/mol
Exact Mass348.06
IUPAC Name5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine
SMILESCC(F)(F)c1ccc(Oc2ncncc2-c2cncc(Cl)c2)cn1
InChIInChI=1S/C16H11ClF2N4O/c1-16(18,19)14-3-2-12(7-22-14)24-15-13(8-21-9-23-15)10-4-11(17)6-20-5-10/h2-9H,1H3
InChIKeyGDEHGIODJCJKRB-UHFFFAOYSA-N
XLogP4.49
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 126714412
5-(4,5-difluoro-2-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235968
5-(2,4-difluoro-5-methoxyphenyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135235718
5-chloro-3-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-2-methoxypyridine
CID 135246741
8-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]quinoline
CID 135247003
5-(2-methoxycyclohexa-1,3-dien-1-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidine
CID 135246573
5-bromo-4-[[6-(1,1-difluoro-2-iodoethyl)-3-pyridinyl]oxy]pyrimidine
CID 140963801
5-bromo-4-[(5-chloro-3-pyridinyl)oxy]pyrimidine
CID 66319604
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134626259
3-chloro-5-(1,1-difluoroethyl)pyridine
CID 118107873
4-methoxy-5-[4-(trifluoromethyl)phenyl]pyrimidine
CID 155969730
2-[2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-3-pyridinyl]-6-methoxy-3-propylpyridine
CID 135246688

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine (CID 135246796) is 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine is CC(F)(F)c1ccc(Oc2ncncc2-c2cncc(Cl)c2)cn1.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
The InChIKey is GDEHGIODJCJKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O/c1-16(18,19)14-3-2-12(7-22-14)24-15-13(8-21-9-23-15)10-4-11(17)6-20-5-10/h2-9H,1H3.
What are the key properties of 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine?
5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine has a molecular weight of 348.74 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]pyrimidine is sourced from PubChem (CID 135246796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).