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

C18H13ClFN3O2 — CID 158331131

IUPAC2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(Cl)n2)n1
InChIInChI=1S/C18H13ClFN3O2/c1-11-5-14(25-15-6-12(20)9-21-10-15)8-16(22-11)17(24)7-13-3-2-4-18(19)23-13/h2-6,8-10H,7H2,1H3
InChIKeyGQAICIFCJORGMO-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.19
Rot. Bonds5

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

2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone (PubChem CID 158331131) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
PubChem CID158331131
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone
SMILESCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(Cl)n2)n1
InChIInChI=1S/C18H13ClFN3O2/c1-11-5-14(25-15-6-12(20)9-21-10-15)8-16(22-11)17(24)7-13-3-2-4-18(19)23-13/h2-6,8-10H,7H2,1H3
InChIKeyGQAICIFCJORGMO-UHFFFAOYSA-N
XLogP4.19
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
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-[5-Fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349217
2-(3-Fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349221
2-(3,4-Difluorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349231

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone (CID 158331131) is 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone is Cc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(Cl)n2)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
The InChIKey is GQAICIFCJORGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-11-5-14(25-15-6-12(20)9-21-10-15)8-16(22-11)17(24)7-13-3-2-4-18(19)23-13/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone?
2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone has a molecular weight of 357.77 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]ethanone is sourced from PubChem (CID 158331131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).