1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone

C19H15ClFN3O2 — CID 157382157

IUPAC1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
SMILESCc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(F)c(C)n2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-11-5-15(26-16-6-13(20)9-22-10-16)8-18(23-11)19(25)7-14-3-4-17(21)12(2)24-14/h3-6,8-10H,7H2,1-2H3
InChIKeyBKZWYOLIVCPSOD-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.50
Rot. Bonds5

About 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone (PubChem CID 157382157) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
PubChem CID157382157
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
SMILESCc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(F)c(C)n2)n1
InChIInChI=1S/C19H15ClFN3O2/c1-11-5-15(26-16-6-13(20)9-22-10-16)8-18(23-11)19(25)7-14-3-4-17(21)12(2)24-14/h3-6,8-10H,7H2,1-2H3
InChIKeyBKZWYOLIVCPSOD-UHFFFAOYSA-N
XLogP4.50
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

4-[(5-chloro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 60196616
N-(5-chloro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197824
US8598345, Table 1-2/2-1
CID 69939860
5-((6-Chloropyridin-3-yl)methoxy)-4-(4-fluorophenyl)picolinamide
CID 122539712
US8598345, Table 1-16
CID 88064124
1,2-Bis(5-methoxy-2-pyridinyl)ethane-1,2-dione
CID 44579453
Methyl 3-[(3,5-dichloro-2-pyridinyl)methoxy]pyridine-2-carboxylate
CID 75446411
2-(5-Fluoro-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone
CID 58318875
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide
CID 58337557
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-6-(1,1-difluoroethyl)pyridine-2-carboxamide
CID 58337667
2-(3,4-Difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349231
2-[3-(1,1-Difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349246

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone (CID 157382157) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone is Cc1cc(Oc2cncc(Cl)c2)cc(C(=O)Cc2ccc(F)c(C)n2)n1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
The InChIKey is BKZWYOLIVCPSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-11-5-15(26-16-6-13(20)9-22-10-16)8-18(23-11)19(25)7-14-3-4-17(21)12(2)24-14/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone has a molecular weight of 371.80 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157382157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).