(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone

C12H9ClN2O2 — CID 104514841

IUPAC(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c1-17-12-10(14-6-7-15-12)11(16)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyXOMYLCMCQRSRHM-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.37
Rot. Bonds3

About (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone

(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 104514841) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID104514841
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2O2/c1-17-12-10(14-6-7-15-12)11(16)8-2-4-9(13)5-3-8/h2-7H,1H3
InChIKeyXOMYLCMCQRSRHM-UHFFFAOYSA-N
XLogP2.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
(5-chloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515020
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(3,5-dichloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421518
(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421493
(3-methoxypyrazin-2-yl)-(5-methylfuran-3-yl)methanone
CID 115797106
3-methoxypyrazine-2-carboxylic acid
CID 22395692
2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
CID 115797247
(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
CID 115797079
(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797185
(4-chlorophenyl)-(2,4-dimethoxypyrimidin-5-yl)methanone
CID 102421117

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone (CID 104514841) is (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is XOMYLCMCQRSRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c1-17-12-10(14-6-7-15-12)11(16)8-2-4-9(13)5-3-8/h2-7H,1H3.
What are the key properties of (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone?
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 248.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 104514841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).