(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone

C12H9ClN2O — CID 106864959

IUPAC(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
SMILESCc1ccc(C(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C12H9ClN2O/c1-8-2-3-9(10(13)6-8)12(16)11-7-14-4-5-15-11/h2-7H,1H3
InChIKeySVFJJGRWBQNWMR-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.67
Rot. Bonds2

About (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone

(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone (PubChem CID 106864959) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
PubChem CID106864959
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone
SMILESCc1ccc(C(=O)c2cnccn2)c(Cl)c1
InChIInChI=1S/C12H9ClN2O/c1-8-2-3-9(10(13)6-8)12(16)11-7-14-4-5-15-11/h2-7H,1H3
InChIKeySVFJJGRWBQNWMR-UHFFFAOYSA-N
XLogP2.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone
CID 130624383
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
(2-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanone
CID 106863437
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
(3-chloro-4-iodophenyl)-pyrazin-2-ylmethanone
CID 103214115
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone (CID 106864959) is (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone is Cc1ccc(C(=O)c2cnccn2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone?
The InChIKey is SVFJJGRWBQNWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c1-8-2-3-9(10(13)6-8)12(16)11-7-14-4-5-15-11/h2-7H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone?
(2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone has a molecular weight of 232.67 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 106864959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).