1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone

C18H13F2N3O — CID 157272250

IUPAC1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone
SMILESCc1ccncc1-c1cnc(CC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C18H13F2N3O/c1-11-5-6-21-9-13(11)16-10-22-12(8-23-16)7-17(24)18-14(19)3-2-4-15(18)20/h2-6,8-10H,7H2,1H3
InChIKeySLOOZRBVUQSXCS-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.55
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone

1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone (PubChem CID 157272250) has the molecular formula C18H13F2N3O and a molecular weight of 325.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone
PubChem CID157272250
Molecular FormulaC18H13F2N3O
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone
SMILESCc1ccncc1-c1cnc(CC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C18H13F2N3O/c1-11-5-6-21-9-13(11)16-10-22-12(8-23-16)7-17(24)18-14(19)3-2-4-15(18)20/h2-6,8-10H,7H2,1H3
InChIKeySLOOZRBVUQSXCS-UHFFFAOYSA-N
XLogP3.55
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Aminopyridine N-oxide, 49
CID 24745286
[3-Amino-2-(2-methylphenyl)-1-oxidopyridin-4-yl](2,4-difluorophenyl)methanone
CID 24745781
Aminopyridine N-oxide, 46
CID 24745785
Aminopyridine N-oxide, 48
CID 24745955
Aminopyridine N-oxide, 53
CID 24746297
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
(E)-1-(3,4-difluorophenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 16319272
1-(4-{4-[(Pyridin-3-yl)methyl]piperazin-1-yl}phenyl)ethan-1-one
CID 757138
3-Phenyl-5-pyridin-2-yl-1-pyridin-3-ylpyridin-2-one
CID 10268197
3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]-1H-quinolin-4-one
CID 67615767
2-[6-(2,4-difluorophenyl)-3-pyridyl]-3-methyl-1H-quinolin-4-one
CID 67617282

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone (CID 157272250) is 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone is Cc1ccncc1-c1cnc(CC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
The InChIKey is SLOOZRBVUQSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O/c1-11-5-6-21-9-13(11)16-10-22-12(8-23-16)7-17(24)18-14(19)3-2-4-15(18)20/h2-6,8-10H,7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone has a molecular weight of 325.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 157272250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).